A0A3Q0KTI3_SCHMA Loading...

Non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KTI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,123 aa.

						>A0A3Q0KTI3_SCHMA|A0A3Q0KTI3
MYRNNPVISNSSNSPQTSQPYYSRILLPKVSGNGPINHSQRRHSLLNGSSSTSSDRSKQSLVSAYFGRSRTLSRDSPSYMPTIFNFQPLNGYHSPVLKRRVCRTESTKTNLFGTPEPPNSDIAIKHGLRVFESKKRARELNDITVTTEESSQDGSDFGNSKRRKTSRTFDISTVGCTHDVDGFSFTSLRQLNSGDAVGVTVCATDNRLPSKVSDRNSRSVQTQVFNECEDDRTVSTTSSTGSVRSSPNNISGSAAALRRKIPYMSPSELEAHLLSTKALAYTSHYALENHTSGAGDFNSIDLDTSPFQYSRKKVTARRIATESNQTVDDSTQSSLNNIKPPLVTNITCYDEKSETDSSKLPVVQPTSLNRFIANLEGHSNLFLDKMSQSQIKTASGGFDVESRVKRIRELISAKCSNHSSNSSCGYSTPSAISSITSTSYCSPVSQILATSNSSPIVSTISSSLPSVHSTSGVSFMSVVVCNTSASVQNITSISNPSASSTTSKHFSFPVISSVSEVISTQAVIPTSIAVTSIVSLPGSISFGFTSTSNISSSSMSVTSASTVLATAVTSVSFSFSTASTAHVSFLKEPTITSTIAVTTSASVSHPILPSVTNFSSVSTSESNSAVVPSSIFTFPTSTITTSATIISVTATTAATQKTTPAFSFSFPPTSPAPLSLQTTSSNLPSTANLTSSIFESLKPISTFSGFSFPKSAITSSASVPTSNPSSVAKNTVQSDSSKPFTFGSSNPQPISTASIFTFGASAVTTSSLTSVSSVSFGSTSMPSFLGSVPNSGPVSSSFVFGANLSKPSSTISSGAFGQTMGTTSSLNTVVNNAGLFTFTSPIASTSGVSLFGSNPVNISSKTVSLPTNTSSSGFSSTTINPLLNPVSTTFSTNSFTLGIKPANVTPAKTTSLFGTSNSIFETPNTSSSLKFNFNQLTSSTASNVATSGLSFGTTIVTTTATSVTPASTLFQFGSFSSNSKPSATSVSQPLSFGSSVPQFSFGQNFTSACSQPSTLPTLSFSSLNSGSITTTTNSFQFSSTPVFSNINPPTNFSGFNFSLPQTSTPSVITPQTNACFVFGQTPLSTGVANSNPFTFGTSSTSPSSNAPNAPRRRPLSSRRSRRP
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	35.6	Very low	230 Å²	230	144.4 Å²	144.4	100%	1.133	75%	0.753	S	S	*	*				0	147	0	-87.6	-172.8	177.7	0	0	109.1
2	Y	34.7	Very low	35.4	Very low	187 Å²	187	140.3 Å²	140.3	73%	0.733	75%	0.746	S	S	*	*			trans	17.7	132.1	155.8	-59.6	-99.3	0	0	0	119
3	R	36.6	Very low	35.1	Very low	195 Å²	195	141.2 Å²	141.2	74%	0.736	75%	0.752	S	S	*	*			cis	-168.2	163.9	4.6	-122.8	179.7	-175.3	155.5	-0.3	109.3
4	N	41.2	Very low	34.4	Very low	134 Å²	134	139.4 Å²	139.4	72%	0.717	76%	0.755	S	S	*	*			trans	52.5	119.2	148.5	-60	8.6	0	0	0	119.2
5	N	27.3	Very low	34.2	Very low	146 Å²	146	136.5 Å²	136.5	78%	0.781	75%	0.747	S	S	*	*			cis	60.4	151.7	10.9	-115.5	25	0	0	0	115.5
6	P	43.6	Very low	34.1	Very low	94 Å²	94	138.8 Å²	138.8	61%	0.61	75%	0.75	S	S	*	*			cis	-135.7	-151.1	-48.2	33.3	-12.8	0	0	0	111.2
7	V	30.5	Very low	33.8	Very low	128 Å²	128	137.6 Å²	137.6	78%	0.776	75%	0.75	S	S	*	*			trans	70.8	146.2	169	-140.5	0	0	0	0	111.8
8	I	38.4	Very low	33.9	Very low	146 Å²	146	135.8 Å²	135.8	75%	0.749	75%	0.748	S	S	*	*			cis	-141.6	119.8	37	-73.7	163.9	0	0	0	108.2
9	S	37	Very low	33.8	Very low	84 Å²	84	135.8 Å²	135.8	59%	0.587	74%	0.743	S	S	*	*				69.9	142.2	98.2	116.5	0	0	0	0	114.7
10	N	35.3	Very low	34.1	Very low	146 Å²	146	132.9 Å²	132.9	78%	0.781	73%	0.731	S	S	*	*			cis	-151.8	172	18.8	-122.8	-19	0	0	0	114.8
11	S	26.5	Very low	33.8	Very low	98 Å²	98	132 Å²	132	69%	0.685	72%	0.717	S	S	*	*			trans	-32.8	158.7	168.4	58.7	0	0	0	0	117.6
12	S	32.5	Very low	33.3	Very low	95 Å²	95	130.8 Å²	130.8	66%	0.664	70%	0.701	S	S	*	*			cis	-166.8	164.7	48.8	57.1	0	0	0	0	117
13	N	32.2	Very low	33.1	Very low	153 Å²	153	126.2 Å²	126.2	82%	0.818	70%	0.696	S	S	*	*			trans	74.3	85	154.9	-60.4	-7	0	0	0	121
14	S	24.9	Very low	33.1	Very low	115 Å²	115	128.2 Å²	128.2	80%	0.804	70%	0.704	S	S	*	*				-95.7	148.5	120.8	-179.3	0	0	0	0	106.1
15	P	31.9	Very low	32.6	Very low	96 Å²	96	129.7 Å²	129.7	62%	0.623	71%	0.71	S	S	*	*			cis	-150.8	-160.6	47.6	43.4	-21.4	0	0	0	116.3
16	Q	32.5	Very low	33.2	Very low	173 Å²	173	130.4 Å²	130.4	81%	0.808	71%	0.713	S	S	*	*			trans	69.7	146.6	156.5	-76	173.7	-24.3	0	0	118.5
17	T	28.8	Very low	33.1	Very low	120 Å²	120	133.8 Å²	133.8	74%	0.736	73%	0.725	S	S	*	*			cis	-166.7	174.5	-37.1	7.8	0	0	0	0	108.3
18	S	36.3	Very low	33.4	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	73%	0.727	S	S	*	*			trans	70.9	108.7	157.8	63.6	0	0	0	0	121.9
19	Q	31.7	Very low	33.2	Very low	137 Å²	137	136 Å²	136	64%	0.64	73%	0.732	S	S	*	*			trans	72.2	158.7	132.6	-60.9	-58.6	-4	0	0	119.9	N613	Q19-N613 VanDerWaalsContact CG-OD1 3.25Å; Q19-N613 WeakPolarHBondContact CG-OD1 3.44Å; Q19-N613 PolarHBondContact NE2-OD1 2.75Å; Q19-N613 PolarHBondContact OE1-OD1 3.28Å
20	P	39.5	Very low	33.4	Very low	77 Å²	77	138.3 Å²	138.3	50%	0.5	74%	0.742	S	S	.	*			trans	-131.5	174.5	-144.8	35.1	-13.5	0	0	0	115.6
21	Y	28.1	Very low	33.4	Very low	115 Å²	115	137.5 Å²	137.5	45%	0.451	75%	0.748	S	S	.	*				174.9	149.1	115.6	-108.2	-94.3	0	0	0	111.6	S610 T612	Y21-S610 PolarHBondContact OH-O 2.82Å; Y21-T612 HydrophobicContact CD2-CG2 3.64Å; Y21-T612 HydrophobicContact CE2-CG2 3.7Å; Y21-T612 VanDerWaalsContact CE2-N 3.31Å; Y21-T612 PolarHBondContact OH-N 2.83Å
22	Y	28.8	Very low	33.7	Very low	204 Å²	204	135.6 Å²	135.6	80%	0.8	74%	0.744	S	S	*	*			trans	54.8	132.7	168.1	-80.1	-68.7	0	0	0	122.6
23	S	30.5	Very low	33.8	Very low	90 Å²	90	139.6 Å²	139.6	63%	0.629	76%	0.758	S	S	*	*			trans	73.6	82.6	142.9	72.7	0	0	0	0	120.3
24	R	38	Very low	33.8	Very low	238 Å²	238	135.7 Å²	135.7	90%	0.898	75%	0.754	S	S	*	*				-161	151.5	105.1	-114.4	156.6	-78.6	-158.4	-2.9	114.3	L26	R24-L26 PolarHBondContact O-N 3.16Å
25	I	31.2	Very low	34.2	Very low	165 Å²	165	135.7 Å²	135.7	85%	0.846	75%	0.751	S	S	*	*			trans	-73.9	115.2	169.1	-63.1	162	0	0	0	107.6
26	L	38	Very low	34.2	Very low	161 Å²	161	138.1 Å²	138.1	84%	0.843	76%	0.757	S	S	*	*			trans	177.7	149.9	144.1	-95.9	160.8	0	0	0	109.8	R24 P28	R24-L26 PolarHBondContact O-N 3.16Å; L26-P28 WeakPolarHBondContact O-CD 3.24Å
27	L	42.4	Very low	34.4	Very low	165 Å²	165	136.9 Å²	136.9	86%	0.864	76%	0.756	S	S	*	*			trans	-72.8	129.9	-166.2	-67.5	155.8	0	0	0	114.7
28	P	37.5	Very low	34.7	Very low	126 Å²	126	140.2 Å²	140.2	82%	0.818	76%	0.763	S	S	*	*			trans	-83.5	150.5	156.7	-10.6	29.3	0	0	0	111.9	L26	L26-P28 WeakPolarHBondContact O-CD 3.24Å
29	K	34.4	Very low	34.6	Very low	194 Å²	194	139.9 Å²	139.9	84%	0.843	76%	0.761	S	S	*	*			trans	-106	142.2	179.4	-72.8	178.1	178.5	174.5	0	112.8
30	V	39.6	Very low	34.7	Very low	133 Å²	133	141.7 Å²	141.7	81%	0.806	77%	0.769	S	S	*	*			trans	19.9	118.6	131.4	-170.5	0	0	0	0	118.3
31	S	36.2	Very low	34.4	Very low	128 Å²	128	147.2 Å²	147.2	90%	0.895	78%	0.78	S	S	*	*			trans	-166.8	152.1	139.7	-79.8	0	0	0	0	108.8
32	G	32	Very low	35	Very low	59 Å²	59	150.3 Å²	150.3	61%	0.608	79%	0.791	S	S	*	*			cis	-175	-165.4	-0.3	0	0	0	0	0	111.3
33	N	34.9	Very low	35.4	Very low	178 Å²	178	148.5 Å²	148.5	95%	0.952	79%	0.79	S	S	*	*	S	Bend	trans	79.8	108.8	-174.8	-52.3	-18.9	0	0	0	114.4
34	G	32.1	Very low	35.4	Very low	72 Å²	72	148 Å²	148	74%	0.742	79%	0.786	S	S	*	*			cis	-153.1	173.5	-0.6	0	0	0	0	0	113.9
35	P	33.4	Very low	35.1	Very low	114 Å²	114	143.5 Å²	143.5	74%	0.74	78%	0.779	S	S	*	*			trans	-132.9	176.3	-149.9	43.1	-27.5	0	0	0	117.1
36	I	32.8	Very low	35.4	Very low	147 Å²	147	142 Å²	142	75%	0.754	77%	0.772	S	S	*	*			trans	79.5	130	157.3	-70.3	156.9	0	0	0	118.4
37	N	36.1	Very low	35.4	Very low	148 Å²	148	141.1 Å²	141.1	79%	0.791	77%	0.768	S	S	*	*			trans	-64.6	149.9	171.6	-56	-74.1	0	0	0	112.4
38	H	35.8	Very low	35	Very low	189 Å²	189	136.4 Å²	136.4	88%	0.875	76%	0.76	S	S	*	*			trans	-138.5	157.9	138.2	-89.9	-67.1	0	0	0	111.7
39	S	34.4	Very low	34.7	Very low	98 Å²	98	135.7 Å²	135.7	69%	0.685	76%	0.757	S	S	*	*			trans	-107.4	-179.1	-169.9	58.2	0	0	0	0	112.1
40	Q	32	Very low	34.7	Very low	174 Å²	174	131.9 Å²	131.9	81%	0.813	76%	0.755	S	S	*	*			trans	68.9	122.1	175.7	-46.6	179.4	7.5	0	0	116
41	R	33.7	Very low	34.4	Very low	193 Å²	193	130.8 Å²	130.8	73%	0.728	75%	0.753	S	S	*	*				-173	135.9	98	-108.4	-175.9	170.1	-171.2	-1.2	113
42	R	41.1	Very low	34.5	Very low	181 Å²	181	130.8 Å²	130.8	68%	0.683	75%	0.748	S	S	*	*			trans	67.9	149.8	150.4	-59.4	-176.7	168.3	-178.2	-6	116
43	H	37.9	Very low	34.6	Very low	165 Å²	165	132.6 Å²	132.6	76%	0.764	75%	0.752	S	S	*	*			cis	-153.7	146.3	-19.9	-96.4	-44.3	0	0	0	103.6
44	S	29.1	Very low	34.5	Very low	79 Å²	79	129.5 Å²	129.5	55%	0.552	74%	0.744	S	S	*	*				52.3	146	63.4	89.2	0	0	0	0	112.8
45	L	31.9	Very low	34.7	Very low	144 Å²	144	132.7 Å²	132.7	75%	0.754	74%	0.744	S	S	*	*			cis	-171.7	160.8	-3.9	-119.4	170.9	0	0	0	106.1
46	L	38	Very low	34.8	Very low	135 Å²	135	138 Å²	138	71%	0.707	75%	0.749	S	S	*	*			trans	63.7	158.5	175	-75.3	64.3	0	0	0	114.2
47	N	37.4	Very low	34.8	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	75%	0.749	S	S	*	*			cis	-156.7	155.5	-18.8	-103.7	-12.2	0	0	0	106
48	G	33.9	Very low	34.5	Very low	66 Å²	66	138.5 Å²	138.5	68%	0.68	75%	0.752	S	S	*	*			cis	-175.1	-166.3	-3.9	0	0	0	0	0	107.5
49	S	32.6	Very low	34.2	Very low	110 Å²	110	138.1 Å²	138.1	77%	0.769	75%	0.751	S	S	*	*			cis	160.5	88.5	-18.6	-84.4	0	0	0	0	106.9
50	S	33.9	Very low	34	Very low	114 Å²	114	139.3 Å²	139.3	80%	0.797	76%	0.759	S	S	*	*			trans	171.4	137.8	166.3	51.2	0	0	0	0	109.2
51	S	34.1	Very low	34	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	76%	0.756	S	S	*	*			cis	-153.8	160.5	-14.6	-72	0	0	0	0	105.5
52	T	36.8	Very low	33.8	Very low	128 Å²	128	134.6 Å²	134.6	79%	0.785	76%	0.758	S	S	*	*			cis	-139.9	155.9	27.6	47.9	0	0	0	0	113
53	S	35.2	Very low	33.3	Very low	98 Å²	98	131.4 Å²	131.4	69%	0.685	76%	0.763	S	S	*	*			trans	-55.7	141.7	156.4	45.7	0	0	0	0	110.7
54	S	31.9	Very low	32.9	Very low	112 Å²	112	126.8 Å²	126.8	78%	0.783	75%	0.753	S	S	*	*			cis	73.3	104.2	36.1	87.4	0	0	0	0	114.1
55	D	36.2	Very low	32.8	Very low	140 Å²	140	133.5 Å²	133.5	75%	0.749	77%	0.768	S	S	*	*			trans	-132.4	151	150.9	-142.1	-26.7	0	0	0	110.8
56	R	36.1	Very low	32.9	Very low	225 Å²	225	136.2 Å²	136.2	85%	0.849	77%	0.774	S	S	*	*	S	Bend	trans	-33.4	153.2	-168.1	-73.1	153.8	173.2	160.7	-7.5	119.1
57	S	33.1	Very low	32.4	Very low	107 Å²	107	133.1 Å²	133.1	75%	0.748	78%	0.775	S	S	*	*			cis	-153.8	128.5	2.7	43.5	0	0	0	0	114
58	K	29.8	Very low	32.1	Very low	198 Å²	198	137.3 Å²	137.3	86%	0.861	78%	0.78	S	S	*	*			trans	-148.9	98.2	149.5	-81.2	-165.2	-179.9	178.9	0	110.1
59	Q	30	Very low	31.8	Very low	181 Å²	181	139.1 Å²	139.1	85%	0.846	78%	0.783	S	S	*	*			trans	178.2	119.6	140.4	-101.6	164.3	62.4	0	0	110.4
60	S	29.2	Very low	32	Very low	123 Å²	123	144.8 Å²	144.8	86%	0.86	79%	0.787	S	S	*	*			trans	-133	146.6	139.5	-169	0	0	0	0	106.5
61	L	31.2	Very low	31.9	Very low	141 Å²	141	146.1 Å²	146.1	74%	0.738	79%	0.791	S	S	*	*			trans	-122.7	177	-174.7	-94	163.9	0	0	0	109.4
62	V	29.4	Very low	32	Very low	128 Å²	128	148.2 Å²	148.2	78%	0.776	79%	0.792	S	S	*	*			trans	88.8	132.6	161.8	-169	0	0	0	0	116.8
63	S	32.3	Very low	31.7	Very low	113 Å²	113	146.6 Å²	146.6	79%	0.79	79%	0.786	S	S	*	*			trans	69.5	152.3	165.3	-71.8	0	0	0	0	120.7
64	A	28.1	Very low	31.7	Very low	68 Å²	68	152.3 Å²	152.3	56%	0.562	79%	0.793	S	S	*	*			cis	-172.7	145	-31.3	0	0	0	0	0	109.7
65	Y	28.3	Very low	31.8	Very low	221 Å²	221	153 Å²	153	87%	0.867	79%	0.788	S	S	*	*			trans	60.8	151.5	177.4	-57.2	-89.4	0	0	0	115.2
66	F	32.4	Very low	31.3	Very low	200 Å²	200	151.3 Å²	151.3	88%	0.877	79%	0.787	S	S	*	*			cis	-100.9	171.7	-1.8	-76.3	-116.1	0	0	0	109.6
67	G	29.2	Very low	31.2	Very low	70 Å²	70	145.9 Å²	145.9	72%	0.722	78%	0.781	S	S	*	*			cis	86.9	126.3	34.1	0	0	0	0	0	109.9
68	R	29.5	Very low	31.2	Very low	231 Å²	231	146 Å²	146	87%	0.872	78%	0.782	S	S	*	*			cis	-157.3	163.4	10.3	-134.4	176.5	-175.8	177.4	1.1	110.3
69	S	29.7	Very low	31.3	Very low	104 Å²	104	147.5 Å²	147.5	73%	0.727	78%	0.783	S	S	*	*			trans	5.3	145.6	156.2	-48.4	0	0	0	0	120.2
70	R	35.5	Very low	31.4	Very low	228 Å²	228	146.2 Å²	146.2	86%	0.86	78%	0.779	S	S	*	*			cis	-146.6	127.1	45.8	-56.3	178.7	-174.9	-164.7	0.3	114.8
71	T	32.7	Very low	31.6	Very low	143 Å²	143	145.1 Å²	145.1	88%	0.877	77%	0.769	S	S	*	*			trans	-119.3	103	147.7	35.5	0	0	0	0	108.5
72	L	35.8	Very low	32	Very low	153 Å²	153	144.5 Å²	144.5	80%	0.801	77%	0.772	S	S	*	*			trans	-152.6	143.1	173.7	-77	173.7	0	0	0	106
73	S	29.9	Very low	32.8	Very low	94 Å²	94	144.5 Å²	144.5	66%	0.657	77%	0.766	S	S	*	*			cis	-175.1	169.9	-12.3	47.9	0	0	0	0	107.7
74	R	35.5	Very low	33.3	Very low	219 Å²	219	147.3 Å²	147.3	83%	0.826	76%	0.764	S	S	*	*			trans	83.5	113.8	176.7	-57.6	-163	149.2	163.9	-3.4	114.9
75	D	33.5	Very low	33.5	Very low	127 Å²	127	150.2 Å²	150.2	68%	0.679	77%	0.77	S	S	*	*				76.1	107.7	64.9	-54.2	-30.3	0	0	0	109.8
76	S	26.7	Very low	34.2	Very low	103 Å²	103	149 Å²	149	72%	0.72	77%	0.77	S	S	*	*				68.7	73.2	55.5	-54.7	0	0	0	0	114.7
77	P	33.8	Very low	34.8	Very low	112 Å²	112	147.1 Å²	147.1	73%	0.727	76%	0.764	S	S	*	*			trans	-73.7	102.5	137.3	31.6	-25.8	0	0	0	107.2
78	S	32.2	Very low	35.4	Very low	110 Å²	110	148.4 Å²	148.4	77%	0.769	76%	0.759	S	S	*	*				55.9	77	64.9	-161.2	0	0	0	0	111.5
79	Y	31.7	Very low	35.9	Very low	229 Å²	229	144.1 Å²	144.1	90%	0.898	75%	0.753	S	S	*	*			trans	-103.1	106.5	170.8	-110.2	-90.2	0	0	0	109.1
80	M	32.4	Very low	36.2	Very low	153 Å²	153	147.8 Å²	147.8	75%	0.754	76%	0.764	S	S	*	*			trans	-170.2	142	175.7	-114.1	-83.1	159.7	0	0	109.2
81	P	34.3	Very low	36.3	Very low	101 Å²	101	140.4 Å²	140.4	66%	0.656	76%	0.76	S	S	*	*				-121.6	149.3	-54.4	36.9	-28.7	0	0	0	111.9
82	T	38.9	Very low	36.3	Very low	128 Å²	128	142.7 Å²	142.7	79%	0.785	75%	0.753	S	S	*	*			trans	-91.9	131.2	169.3	45.1	0	0	0	0	111.1	F84	T82-F84 PolarHBondContact O-N 3.37Å; T82-F84 VanDerWaalsContact O-N 3.14Å
83	I	45.6	Very low	36.4	Very low	128 Å²	128	143.5 Å²	143.5	66%	0.656	75%	0.753	S	S	*	*	S	Bend	trans	-66	-18.2	-169.3	-65.6	167.1	0	0	0	113.7	F1078	I83-F1078 HydrophobicContact CG2-CE1 4.41Å; I83-F1078 HydrophobicContact CG2-CZ 3.99Å
84	F	43.1	Very low	36.6	Very low	172 Å²	172	143.2 Å²	143.2	75%	0.754	75%	0.751	S	S	*	*	S	Bend	trans	-98.1	99	176.4	-64.6	-75.8	0	0	0	111.3	T82 F86	T82-F84 PolarHBondContact O-N 3.37Å; T82-F84 VanDerWaalsContact O-N 3.14Å; F84-F86 VanDerWaalsContact C-N 3.3Å; F84-F86 PolarHBondContact O-N 3.45Å
85	N	33.8	Very low	36.5	Very low	128 Å²	128	139.1 Å²	139.1	68%	0.684	75%	0.753	S	S	*	*			trans	-84.2	59.9	-172.1	-167	28.6	0	0	0	113.5	Q87	N85-Q87 PolarHBondContact O-N 2.78Å
86	F	43.2	Very low	36.6	Very low	196 Å²	196	137.9 Å²	137.9	86%	0.86	75%	0.75	S	S	*	*			trans	-83.4	87.8	165	-81.2	-73.8	0	0	0	110	F84 P88	F84-F86 VanDerWaalsContact C-N 3.3Å; F84-F86 PolarHBondContact O-N 3.45Å; F86-P88 VanDerWaalsContact O-CD 3.29Å; F86-P88 WeakPolarHBondContact O-CD 3.34Å
87	Q	44.9	Very low	37	Very low	161 Å²	161	141 Å²	141	75%	0.752	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-70.9	117.2	162.6	-69.3	-176.8	-13.5	0	0	108.8	N85	N85-Q87 PolarHBondContact O-N 2.78Å
88	P	41.7	Very low	37.3	Very low	97 Å²	97	145.2 Å²	145.2	63%	0.63	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-64.8	137.2	163.8	29	-32.8	0	0	0	108.6	F86 N90	F86-P88 VanDerWaalsContact O-CD 3.29Å; F86-P88 WeakPolarHBondContact O-CD 3.34Å; P88-N90 PolarHBondContact O-N 2.9Å
89	L	39.7	Very low	37.6	Very low	141 Å²	141	151.1 Å²	151.1	74%	0.738	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-50.9	130	169.7	-82.7	156.7	0	0	0	109.7	G91 Y92	L89-G91 PolarHBondContact O-N 3.36Å; L89-Y92 PolarHBondContact O-N 3.47Å
90	N	36.2	Very low	37.4	Very low	180 Å²	180	152.2 Å²	152.2	96%	0.963	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	96.8	177.6	-81.1	-26.2	0	0	0	110.1	P88	P88-N90 PolarHBondContact O-N 2.9Å
91	G	37.2	Very low	37.7	Very low	74 Å²	74	150.9 Å²	150.9	76%	0.763	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	142.7	-25.6	-174	0	0	0	0	0	114.6	L89 H93	L89-G91 PolarHBondContact O-N 3.36Å; G91-H93 PolarHBondContact O-N 2.78Å
92	Y	31.8	Very low	37.4	Very low	190 Å²	190	151.8 Å²	151.8	75%	0.745	78%	0.78	S	S	*	*			trans	-87.6	98.1	-179	-96.7	-89.8	0	0	0	113.3	L89	L89-Y92 PolarHBondContact O-N 3.47Å
93	H	39.5	Very low	37.2	Very low	170 Å²	170	156.6 Å²	156.6	79%	0.787	78%	0.784	S	S	*	*			trans	-98.5	125.1	160.5	-75.5	-26.1	0	0	0	110.4	G91	G91-H93 PolarHBondContact O-N 2.78Å
94	S	32.5	Very low	36.6	Very low	89 Å²	89	156.1 Å²	156.1	62%	0.622	79%	0.786	S	S	*	*			trans	-59.9	131.2	167.2	174.3	0	0	0	0	109.9	V96	S94-V96 PolarHBondContact O-N 3.24Å; S94-V96 PolarHBondContact OG-N 3.1Å; S94-V96 PolarHBondContact OG-O 3.05Å
95	P	33.8	Very low	36.1	Very low	133 Å²	133	154.7 Å²	154.7	86%	0.864	78%	0.782	S	S	*	*	S	Bend	trans	-74.6	-0.4	177.9	30.7	-34.5	0	0	0	113.4
96	V	35.3	Very low	36	Very low	101 Å²	101	153.4 Å²	153.4	61%	0.612	78%	0.783	S	S	*	*	S	Bend	trans	-115.9	125.5	-175.6	178.6	0	0	0	0	109.7	S94	S94-V96 PolarHBondContact O-N 3.24Å; S94-V96 PolarHBondContact OG-N 3.1Å; S94-V96 PolarHBondContact OG-O 3.05Å
97	L	36	Very low	35.5	Very low	169 Å²	169	151 Å²	151	89%	0.885	79%	0.785	S	S	*	*	S	Bend	trans	70.2	60.2	174.9	-60.3	166.4	0	0	0	118
98	K	39.7	Very low	35.1	Very low	199 Å²	199	151.2 Å²	151.2	87%	0.865	78%	0.783	S	S	*	*			trans	-126.9	136.7	145.1	-110.4	176.2	-177.8	175.5	0	111.8
99	R	38.6	Very low	34.9	Very low	234 Å²	234	153 Å²	153	88%	0.883	79%	0.793	S	S	*	*			trans	-73.7	150	-169.7	-64.8	-179.8	177.6	113.5	-0.3	111.7	V101	R99-V101 HydrophobicContact CB-CG2 4.37Å; R99-V101 PolarHBondContact O-N 2.92Å
100	R	27.6	Very low	34.6	Very low	252 Å²	252	151.9 Å²	151.9	95%	0.951	79%	0.788	S	S	*	*			trans	-62.9	103.3	162.1	-70.5	179.9	-179.7	147.1	1.9	109.2
101	V	37.7	Very low	34.5	Very low	125 Å²	125	149.4 Å²	149.4	76%	0.758	77%	0.773	S	S	*	*			trans	-126.9	112.1	165.8	179.4	0	0	0	0	107	R99 R103	R99-V101 HydrophobicContact CB-CG2 4.37Å; R99-V101 PolarHBondContact O-N 2.92Å; V101-R103 PolarHBondContact O-N 2.69Å
102	C	28.3	Very low	34.2	Very low	121 Å²	121	155.5 Å²	155.5	82%	0.818	78%	0.779	S	S	*	*			trans	-81.9	104	-179.6	-57.3	0	0	0	0	110
103	R	34.2	Very low	34.5	Very low	229 Å²	229	149.5 Å²	149.5	86%	0.864	78%	0.775	S	S	*	*			trans	-169.9	119.9	149.9	-110.1	162.2	-177.8	164.2	1.3	113.2	V101	V101-R103 PolarHBondContact O-N 2.69Å
104	T	33.4	Very low	34.3	Very low	117 Å²	117	148.1 Å²	148.1	72%	0.718	78%	0.779	S	S	*	*			trans	45.1	90.3	135.6	-38.2	0	0	0	0	119.7
105	E	32.6	Very low	34.7	Very low	143 Å²	143	149.6 Å²	149.6	67%	0.668	79%	0.786	S	S	*	*			trans	67.5	154.3	133	-66.2	-175.9	-154.7	0	0	124.6	P118	E105-P118 WeakPolarHBondContact OE1-CG 3.36Å; E105-P118 WeakPolarHBondContact OE2-CG 3.49Å
106	S	32	Very low	35.5	Very low	100 Å²	100	150.8 Å²	150.8	70%	0.699	78%	0.78	S	S	*	*			trans	77.5	102	153.6	-156	0	0	0	0	120
107	T	33.2	Very low	36	Very low	147 Å²	147	150.4 Å²	150.4	90%	0.902	78%	0.78	S	S	*	*			trans	-100.6	122.7	143.3	44.7	0	0	0	0	109.4
108	K	36.4	Very low	36.6	Very low	164 Å²	164	146.3 Å²	146.3	71%	0.713	76%	0.763	S	S	*	*			trans	-81.1	156.3	179.5	-53	169.2	-179.1	174.7	0	112.3
109	T	37.3	Very low	36.9	Very low	135 Å²	135	138.5 Å²	138.5	83%	0.828	73%	0.731	S	S	*	*				-153.7	151.2	118	44.6	0	0	0	0	109.2
110	N	33.6	Very low	37.5	Very low	118 Å²	118	130.5 Å²	130.5	63%	0.631	71%	0.711	S	S	*	*			cis	-179.5	153	-30.7	-97.1	-9.6	0	0	0	104.6
111	L	34.9	Very low	38.2	Very low	127 Å²	127	122.3 Å²	122.3	67%	0.665	69%	0.686	S	S	*	*			cis	-152	164.6	2	-153.2	68.4	0	0	0	107.8
112	F	29.8	Very low	38.8	Very low	203 Å²	203	119.5 Å²	119.5	89%	0.89	67%	0.666	S	S	*	*	S	Bend	trans	61.6	49.9	178.3	-64.4	-74.4	0	0	0	117.2
113	G	37.9	Very low	39.8	Very low	63 Å²	63	115.7 Å²	115.7	65%	0.649	64%	0.643	S	S	*	*	S	Bend	trans	-146.6	148.9	154.6	0	0	0	0	0	109	P115	G113-P115 VanDerWaalsContact O-CD 3.31Å; G113-P115 WeakPolarHBondContact O-CD 3.29Å
114	T	34.7	Very low	40.6	Very low	142 Å²	142	109.8 Å²	109.8	87%	0.871	63%	0.628	S	S	*	*			trans	-67.9	115.6	167.2	42.6	0	0	0	0	107.9	E116	T114-E116 PolarHBondContact O-N 3.47Å
115	P	41.8	Very low	41.5	Very low	119 Å²	119	107.6 Å²	107.6	77%	0.773	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-66	122.8	179	27.5	-32.9	0	0	0	108.8	G113	G113-P115 VanDerWaalsContact O-CD 3.31Å; G113-P115 WeakPolarHBondContact O-CD 3.29Å
116	E	51.1	Low	42.1	Very low	159 Å²	159	105.1 Å²	105.1	74%	0.743	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-57.8	127.9	168.8	-170.2	174.2	178	0	0	108	T114	T114-E116 PolarHBondContact O-N 3.47Å
117	P	45.6	Very low	43	Very low	93 Å²	93	102.1 Å²	102.1	60%	0.604	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-64.1	149.8	-177.8	27.2	-34.4	0	0	0	109.7	N119	P117-N119 PolarHBondContact O-N 3.38Å
118	P	49.4	Very low	44	Very low	82 Å²	82	98.2 Å²	98.2	53%	0.532	56%	0.555	S	S	.	*			trans	-63	95.5	162.5	28.5	-31.8	0	0	0	108	E105	E105-P118 WeakPolarHBondContact OE1-CG 3.36Å; E105-P118 WeakPolarHBondContact OE2-CG 3.49Å
119	N	45.4	Very low	44.7	Very low	36 Å²	36	94.9 Å²	94.9	19%	0.193	54%	0.538	C	S	.	.			trans	-36	149.8	161.1	-108.7	-23.3	0	0	0	109.8	P117 A762 V763 T764	P117-N119 PolarHBondContact O-N 3.38Å; N119-A762 VanDerWaalsContact C-CA 3.49Å; N119-A762 HydrophobicContact CB-CB 3.28Å; N119-A762 WeakPolarHBondContact O-CA 3.25Å; N119-A762 VanDerWaalsContact O-CB 3.25Å; N119-A762 WeakPolarHBondContact O-CB 3.12Å; N119-V763 HydrophobicContact CB-CG1 3.97Å; N119-V763 VanDerWaalsContact CB-N 3.31Å; N119-V763 WeakPolarHBondContact CB-O 3.12Å; N119-V763 PolarHBondContact ND2-O 3.4Å; N119-V763 WeakPolarHBondContact OD1-CG1 3.34Å; N119-T764 PolarHBondContact ND2-OG1 3.37Å
120	S	49.9	Very low	45.4	Very low	65 Å²	65	92.9 Å²	92.9	46%	0.455	53%	0.525	S	S	.	.	S	Bend	trans	-108.3	-29	-161.5	49.9	0	0	0	0	119	A123 I124 V763	S120-A123 WeakPolarHBondContact O-CB 3.15Å; S120-A123 PolarHBondContact O-N 2.64Å; S120-I124 PolarHBondContact O-N 3Å; S120-V763 VanDerWaalsContact N-CG1 3.34Å; S120-V763 VanDerWaalsContact N-N 3.17Å
121	D	43.4	Very low	46.3	Very low	81 Å²	81	94.8 Å²	94.8	43%	0.433	53%	0.528	S	S	.	.	H	α-helix	trans	-67.4	-56.3	-166	-82.8	5.1	0	0	0	113.7	A123 I124 K125 V763	D121-A123 PolarHBondContact O-N 2.78Å; D121-A123 VanDerWaalsContact O-N 3.15Å; D121-I124 CarbonylContact O-C 3.58Å; D121-I124 WeakPolarHBondContact O-CA 3.22Å; D121-I124 VanDerWaalsContact O-CB 3.3Å; D121-I124 WeakPolarHBondContact O-CB 3.23Å; D121-I124 PolarHBondContact O-N 2.97Å; D121-K125 PolarHBondContact O-N 3.07Å; D121-V763 HydrophobicContact CB-CB 3.61Å; D121-V763 HydrophobicContact CB-CG2 3.84Å; D121-V763 VanDerWaalsContact N-N 3.15Å; D121-V763 WeakPolarHBondContact OD2-CG2 3.16Å
122	I	49	Very low	47	Very low	65 Å²	65	91.4 Å²	91.4	33%	0.333	51%	0.509	S	S	.	.	H	α-helix	trans	-62.5	-28.8	-176.1	-59.3	161.2	0	0	0	106.9	I124 K125 H126 A760 S761 A762	I122-I124 PolarHBondContact O-N 3.08Å; I122-K125 HydrophobicContact CB-CD 4.44Å; I122-K125 HydrophobicContact CG1-CD 3.99Å; I122-K125 CarbonylContact O-C 2.81Å; I122-K125 VanDerWaalsContact O-C 3.3Å; I122-K125 WeakPolarHBondContact O-CA 3.31Å; I122-K125 WeakPolarHBondContact O-CB 3.27Å; I122-K125 PolarHBondContact O-N 3.43Å; I122-H126 PolarHBondContact O-N 2.96Å; I122-A760 CarbonylContact C-O 3.25Å; I122-A760 HydrophobicContact CG2-CB 3.99Å; I122-A760 WeakPolarHBondContact CG2-O 3.29Å; I122-S761 VanDerWaalsContact CB-O 3.3Å; I122-S761 WeakPolarHBondContact CB-O 3.18Å; I122-S761 WeakPolarHBondContact CG2-O 3.47Å; I122-A762 WeakPolarHBondContact CA-O 3.24Å; I122-A762 WeakPolarHBondContact CB-O 3.18Å; I122-A762 WeakPolarHBondContact CD1-O 3.41Å; I122-A762 WeakPolarHBondContact CG1-O 3.3Å; I122-A762 PolarHBondContact N-O 2.91Å
123	A	49.8	Very low	47.7	Very low	42 Å²	42	86.1 Å²	86.1	35%	0.347	50%	0.497	S	S	.	.	H	α-helix	trans	-55	-46.8	168.5	0	0	0	0	0	113.5	S120 D121 K125 H126 G127 A760 S761	S120-A123 WeakPolarHBondContact O-CB 3.15Å; S120-A123 PolarHBondContact O-N 2.64Å; D121-A123 PolarHBondContact O-N 2.78Å; D121-A123 VanDerWaalsContact O-N 3.15Å; A123-K125 VanDerWaalsContact C-N 3.3Å; A123-H126 PolarHBondContact O-N 3.43Å; A123-G127 PolarHBondContact O-N 3.3Å; A123-G127 VanDerWaalsContact O-N 3.08Å; A123-A760 PolarHBondContact N-O 2.94Å; A123-S761 VanDerWaalsContact CB-OG 3.24Å; A123-S761 WeakPolarHBondContact CB-OG 3.46Å
124	I	51.9	Low	48.3	Very low	104 Å²	104	92 Å²	92	53%	0.533	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-38	170.8	-62.1	163.3	0	0	0	110	S120 D121 I122 H126 G127 L128	S120-I124 PolarHBondContact O-N 3Å; D121-I124 CarbonylContact O-C 3.58Å; D121-I124 WeakPolarHBondContact O-CA 3.22Å; D121-I124 VanDerWaalsContact O-CB 3.3Å; D121-I124 WeakPolarHBondContact O-CB 3.23Å; D121-I124 PolarHBondContact O-N 2.97Å; I122-I124 PolarHBondContact O-N 3.08Å; I124-H126 PolarHBondContact O-N 3.3Å; I124-G127 PolarHBondContact O-N 3.06Å; I124-L128 HydrophobicContact CG2-CD1 3.96Å; I124-L128 HydrophobicContact CG2-CG 4.38Å; I124-L128 WeakPolarHBondContact O-CB 3.34Å; I124-L128 VanDerWaalsContact O-CG 3.29Å; I124-L128 WeakPolarHBondContact O-CG 2.98Å; I124-L128 PolarHBondContact O-N 2.82Å
125	K	52.1	Low	48.8	Very low	72 Å²	72	93.2 Å²	93.2	31%	0.313	50%	0.498	S	S	.	.	H	α-helix	trans	-63.3	-33.9	172	-55.8	-171.1	-173.1	-168.5	0	113.6	D121 I122 A123 L128 R129 T757	D121-K125 PolarHBondContact O-N 3.07Å; I122-K125 HydrophobicContact CB-CD 4.44Å; I122-K125 HydrophobicContact CG1-CD 3.99Å; I122-K125 CarbonylContact O-C 2.81Å; I122-K125 VanDerWaalsContact O-C 3.3Å; I122-K125 WeakPolarHBondContact O-CA 3.31Å; I122-K125 WeakPolarHBondContact O-CB 3.27Å; I122-K125 PolarHBondContact O-N 3.43Å; A123-K125 VanDerWaalsContact C-N 3.3Å; K125-L128 PolarHBondContact O-N 3.24Å; K125-R129 WeakPolarHBondContact O-CB 3.43Å; K125-R129 PolarHBondContact O-N 3.36Å; K125-T757 PolarHBondContact NZ-OG1 3.35Å
126	H	45	Very low	48.4	Very low	91 Å²	91	97 Å²	97	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-73.3	-38.6	174.7	-134	-170.5	0	0	0	111.1	I122 A123 I124 L128 R129 V130	I122-H126 PolarHBondContact O-N 2.96Å; A123-H126 PolarHBondContact O-N 3.43Å; I124-H126 PolarHBondContact O-N 3.3Å; H126-L128 VanDerWaalsContact C-N 3.33Å; H126-L128 PolarHBondContact O-N 3.32Å; H126-R129 PolarHBondContact O-N 2.79Å; H126-V130 WeakPolarHBondContact O-CG2 3.17Å; H126-V130 PolarHBondContact O-N 3.43Å; H126-V130 VanDerWaalsContact O-N 3.09Å
127	G	50	Low	47.7	Very low	37 Å²	37	94.1 Å²	94.1	38%	0.381	50%	0.5	S	S	.	.	H	α-helix	trans	-55.1	-47.9	168.1	0	0	0	0	0	112	A123 I124 V130 F131	A123-G127 PolarHBondContact O-N 3.3Å; A123-G127 VanDerWaalsContact O-N 3.08Å; I124-G127 PolarHBondContact O-N 3.06Å; G127-V130 PolarHBondContact O-N 2.81Å; G127-F131 WeakPolarHBondContact O-CD2 2.78Å; G127-F131 PolarHBondContact O-N 2.56Å
128	L	54.5	Low	47.1	Very low	64 Å²	64	99.4 Å²	99.4	34%	0.335	51%	0.508	S	S	.	.	H	α-helix	trans	-67.5	-37	176.9	-69.2	170	0	0	0	112.8	I124 K125 H126 V130 F131 E132 I755	I124-L128 HydrophobicContact CG2-CD1 3.96Å; I124-L128 HydrophobicContact CG2-CG 4.38Å; I124-L128 WeakPolarHBondContact O-CB 3.34Å; I124-L128 VanDerWaalsContact O-CG 3.29Å; I124-L128 WeakPolarHBondContact O-CG 2.98Å; I124-L128 PolarHBondContact O-N 2.82Å; K125-L128 PolarHBondContact O-N 3.24Å; H126-L128 VanDerWaalsContact C-N 3.33Å; H126-L128 PolarHBondContact O-N 3.32Å; L128-V130 PolarHBondContact O-N 3.14Å; L128-F131 CarbonylContact O-C 3.54Å; L128-F131 PolarHBondContact O-N 2.81Å; L128-E132 PolarHBondContact O-N 3.43Å; L128-I755 HydrophobicContact CD1-CG2 4.23Å
129	R	52.4	Low	46.2	Very low	95 Å²	95	103 Å²	103	36%	0.358	52%	0.518	S	S	.	.	H	α-helix	trans	-59.7	-30.8	173.1	-159.6	-149.4	-84	-135.2	6.9	111.6	K125 H126 E132 S133 F758 G759	K125-R129 WeakPolarHBondContact O-CB 3.43Å; K125-R129 PolarHBondContact O-N 3.36Å; H126-R129 PolarHBondContact O-N 2.79Å; R129-E132 WeakPolarHBondContact O-CB 3.32Å; R129-S133 PolarHBondContact O-N 3.12Å; R129-S133 PolarHBondContact O-OG 3.4Å; R129-F758 HydrophobicContact CG-CD1 4.47Å; R129-G759 VanDerWaalsContact NE-N 3.13Å; R129-G759 PolarHBondContact NE-O 3.38Å; R129-G759 PolarHBondContact NH2-O 2.99Å
130	V	51.9	Low	45.4	Very low	93 Å²	93	107.7 Å²	107.7	56%	0.564	54%	0.542	S	S	*	.	H	α-helix	trans	-78.8	-24.5	176.3	173.4	0	0	0	0	112.7	H126 G127 L128 S133	H126-V130 WeakPolarHBondContact O-CG2 3.17Å; H126-V130 PolarHBondContact O-N 3.43Å; H126-V130 VanDerWaalsContact O-N 3.09Å; G127-V130 PolarHBondContact O-N 2.81Å; L128-V130 PolarHBondContact O-N 3.14Å; V130-S133 WeakPolarHBondContact CA-OG 3.37Å; V130-S133 PolarHBondContact O-OG 3.21Å
131	F	52.5	Low	44.4	Very low	157 Å²	157	109.5 Å²	109.5	69%	0.689	55%	0.547	S	S	*	.	H	α-helix	trans	-82.2	-30.4	168.8	-78	-76.1	0	0	0	113	G127 L128 K134	G127-F131 WeakPolarHBondContact O-CD2 2.78Å; G127-F131 PolarHBondContact O-N 2.56Å; L128-F131 CarbonylContact O-C 3.54Å; L128-F131 PolarHBondContact O-N 2.81Å; F131-K134 PolarHBondContact O-N 3.46Å; F131-K134 VanDerWaalsContact O-N 3.16Å
132	E	48.9	Very low	43.6	Very low	57 Å²	57	110.1 Å²	110.1	27%	0.266	55%	0.55	S	S	.	.	H	α-helix	trans	-58.4	-44.4	168.4	-87.5	-79.6	79.9	0	0	112.5	L128 R129 K134 K135 F756	L128-E132 PolarHBondContact O-N 3.43Å; R129-E132 WeakPolarHBondContact O-CB 3.32Å; E132-K134 PolarHBondContact O-N 3.26Å; E132-K135 PolarHBondContact O-N 3.5Å; E132-F756 VanDerWaalsContact CD-CD2 3.45Å; E132-F756 VanDerWaalsContact CD-CE1 3.4Å; E132-F756 HydrophobicContact CG-CD1 3.35Å; E132-F756 HydrophobicContact CG-CD2 4.23Å; E132-F756 HydrophobicContact CG-CE1 3.12Å; E132-F756 HydrophobicContact CG-CE2 4.03Å; E132-F756 HydrophobicContact CG-CG 3.91Å; E132-F756 HydrophobicContact CG-CZ 3.47Å; E132-F756 VanDerWaalsContact CG-CZ 3.47Å; E132-F756 WeakPolarHBondContact OE1-CE2 3.37Å; E132-F756 WeakPolarHBondContact OE1-CZ 3.47Å; E132-F756 VanDerWaalsContact OE2-CD2 3.23Å; E132-F756 WeakPolarHBondContact OE2-CD2 3.48Å; E132-F756 VanDerWaalsContact OE2-CG 3.31Å; E132-F756 WeakPolarHBondContact OE2-CG 3.12Å
133	S	45.4	Very low	42.7	Very low	92 Å²	92	111.3 Å²	111.3	64%	0.643	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	11.8	174.8	51.7	0	0	0	0	114.6	R129 V130	R129-S133 PolarHBondContact O-N 3.12Å; R129-S133 PolarHBondContact O-OG 3.4Å; V130-S133 WeakPolarHBondContact CA-OG 3.37Å; V130-S133 PolarHBondContact O-OG 3.21Å
134	K	48.5	Very low	41.7	Very low	186 Å²	186	114.8 Å²	114.8	81%	0.809	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	12	165.6	-72	-165	170.9	-170.3	0	113.7	F131 E132	F131-K134 PolarHBondContact O-N 3.46Å; F131-K134 VanDerWaalsContact O-N 3.16Å; E132-K134 PolarHBondContact O-N 3.26Å
135	K	45.8	Very low	40.6	Very low	167 Å²	167	116 Å²	116	73%	0.726	59%	0.585	S	S	*	*	S	Bend	trans	-136.2	18.9	-170.4	-133	-176.5	-179.4	-171.9	0	117.5	E132	E132-K135 PolarHBondContact O-N 3.5Å
136	R	34.4	Very low	39.5	Very low	198 Å²	198	118.3 Å²	118.3	75%	0.747	61%	0.606	S	S	*	*			trans	-155.4	117.6	149	-128	172.8	-64.5	-173.2	4	112.6
137	A	36.7	Very low	38.7	Very low	99 Å²	99	119.8 Å²	119.8	82%	0.818	62%	0.621	S	S	*	*			trans	-169.5	58.1	167.1	0	0	0	0	0	109.1
138	R	32.1	Very low	37.7	Very low	205 Å²	205	126.3 Å²	126.3	77%	0.774	64%	0.642	S	S	*	*			trans	-131.2	68	162.9	-107.2	-163	177.2	-162.8	-0.5	107.7
139	E	30.4	Very low	36.6	Very low	156 Å²	156	132.1 Å²	132.1	73%	0.729	67%	0.667	S	S	*	*			trans	-137	141.4	164.7	-64.8	170.2	-174.6	0	0	103.4
140	L	28.9	Very low	35.5	Very low	136 Å²	136	132.1 Å²	132.1	71%	0.712	68%	0.682	S	S	*	*			cis	-99.4	-179.7	-7.7	-79.1	84.2	0	0	0	108.8
141	N	28.8	Very low	34.3	Very low	102 Å²	102	132.4 Å²	132.4	55%	0.545	69%	0.688	S	S	.	*			cis	-134.6	167.6	20.7	-59.3	12.9	0	0	0	109.3	T204 D205	N141-T204 WeakPolarHBondContact O-CB 3.2Å; N141-T204 WeakPolarHBondContact O-CG2 3.29Å; N141-T204 PolarHBondContact O-OG1 3.33Å; N141-D205 VanDerWaalsContact CB-OD2 3.22Å; N141-D205 WeakPolarHBondContact CB-OD2 2.75Å
142	D	26.9	Very low	33.5	Very low	94 Å²	94	132.9 Å²	132.9	50%	0.503	69%	0.692	S	S	.	*			cis	-158.2	-158	-26.2	-106.1	-53.4	0	0	0	103.9	D205	D142-D205 VanDerWaalsContact CB-OD1 3.3Å; D142-D205 WeakPolarHBondContact CB-OD1 3.09Å; D142-D205 PolarHBondContact N-OD1 2.86Å
143	I	30.4	Very low	32.6	Very low	90 Å²	90	137 Å²	137	46%	0.462	72%	0.716	S	S	.	*			trans	69.6	115	172.7	-65.3	179.5	0	0	0	114.1	D205	I143-D205 HydrophobicContact CD1-CB 4.16Å; I143-D205 WeakPolarHBondContact CG1-OD1 3.47Å
144	T	27.8	Very low	32	Very low	115 Å²	115	135.7 Å²	135.7	71%	0.706	72%	0.717	S	S	*	*			cis	-158.4	159.2	3.2	7	0	0	0	0	112.1
145	V	29.4	Very low	31.2	Very low	129 Å²	129	132.4 Å²	132.4	78%	0.782	72%	0.717	S	S	*	*			trans	61	101.6	151.4	178.3	0	0	0	0	117.2
146	T	29.2	Very low	30.3	Very low	122 Å²	122	131.6 Å²	131.6	75%	0.748	72%	0.721	S	S	*	*			trans	-73.6	139.2	141.9	47.5	0	0	0	0	110.5
147	T	28.1	Very low	30.5	Very low	122 Å²	122	132.8 Å²	132.8	75%	0.748	73%	0.732	S	S	*	*			trans	23.4	140.8	138.5	27.1	0	0	0	0	120.3
148	E	29.2	Very low	30.4	Very low	174 Å²	174	131.6 Å²	131.6	81%	0.813	73%	0.729	S	S	*	*			cis	-140.2	-166.4	23.6	-63.4	-169.8	127.9	0	0	113
149	E	30.2	Very low	30.1	Very low	186 Å²	186	128.6 Å²	128.6	87%	0.869	73%	0.729	S	S	*	*			trans	69.9	145	166.8	-61.1	-168.5	145.1	0	0	117.6
150	S	29.1	Very low	30.3	Very low	95 Å²	95	126.9 Å²	126.9	66%	0.664	73%	0.734	S	S	*	*			cis	-159.2	154.7	-14.8	48	0	0	0	0	111.9
151	S	28	Very low	30.6	Very low	98 Å²	98	128.9 Å²	128.9	69%	0.685	74%	0.737	S	S	*	*			trans	54.8	139.8	148.3	55	0	0	0	0	124.2
152	Q	34.6	Very low	31	Very low	167 Å²	167	134.8 Å²	134.8	78%	0.78	75%	0.751	S	S	*	*			trans	92.8	117.2	147.3	-77.1	-177.5	-99.1	0	0	123.6
153	D	30.4	Very low	31.4	Very low	144 Å²	144	135.1 Å²	135.1	77%	0.77	75%	0.746	S	S	*	*			trans	73	148.5	134.6	-61.6	-41.9	0	0	0	123.4
154	G	32.6	Very low	31.5	Very low	65 Å²	65	140.3 Å²	140.3	67%	0.67	77%	0.765	S	S	*	*			trans	100.4	50.8	169.6	0	0	0	0	0	117
155	S	33.1	Very low	31.8	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	77%	0.766	S	S	*	*				75.4	120.4	94.2	72.6	0	0	0	0	117.2
156	D	27.1	Very low	31.7	Very low	150 Å²	150	140 Å²	140	80%	0.802	77%	0.769	S	S	*	*			trans	-60	150.7	175.7	-68.8	-95.8	0	0	0	115.7
157	F	37.9	Very low	31.9	Very low	224 Å²	224	143 Å²	143	98%	0.982	77%	0.766	S	S	*	*			trans	-154.2	151.4	140.7	-109.8	-76.2	0	0	0	111.8
158	G	34.1	Very low	32.1	Very low	73 Å²	73	143 Å²	143	75%	0.753	77%	0.766	S	S	*	*			trans	115.8	8.6	161.1	0	0	0	0	0	119	S160	G158-S160 PolarHBondContact O-N 2.67Å
159	N	26.4	Very low	32.1	Very low	143 Å²	143	144.6 Å²	144.6	77%	0.765	77%	0.771	S	S	*	*			trans	-75.2	115.3	-178.1	-140.1	-49.4	0	0	0	112.4
160	S	34	Very low	31.9	Very low	120 Å²	120	141.6 Å²	141.6	84%	0.839	76%	0.76	S	S	*	*			trans	-141.6	143.2	166.5	-166	0	0	0	0	113	G158	G158-S160 PolarHBondContact O-N 2.67Å
161	K	36.1	Very low	31.9	Very low	177 Å²	177	142.3 Å²	142.3	77%	0.77	76%	0.756	S	S	*	*			trans	-117.1	132.6	-160.3	-62.1	153.8	-175.5	151.9	0	111.2
162	R	36.6	Very low	31.9	Very low	227 Å²	227	139.2 Å²	139.2	86%	0.857	73%	0.734	S	S	*	*			trans	-138	72	151.3	-126.7	175.2	179.3	-159.8	-2.5	115.6
163	R	34.5	Very low	32	Very low	101 Å²	101	137.6 Å²	137.6	38%	0.381	74%	0.736	S	S	.	*			trans	88.8	152.4	146.1	-62.5	159.9	39.2	-144.1	-18.4	118.4	F740 T741 F742 G743	R163-F740 VanDerWaalsContact CD-O 3.27Å; R163-F740 WeakPolarHBondContact CD-O 3.3Å; R163-F740 VanDerWaalsContact CG-O 3.26Å; R163-F740 WeakPolarHBondContact CG-O 3.5Å; R163-T741 WeakPolarHBondContact CD-O 3.48Å; R163-T741 VanDerWaalsContact NE-CA 3.27Å; R163-T741 PolarHBondContact NE-O 3.45Å; R163-T741 PolarHBondContact NH1-O 2.81Å; R163-F742 VanDerWaalsContact CZ-C 3.48Å; R163-F742 VanDerWaalsContact CZ-O 3.32Å; R163-F742 VanDerWaalsContact NH1-C 3.33Å; R163-F742 VanDerWaalsContact NH1-N 3.15Å; R163-F742 PolarHBondContact NH1-O 3.42Å; R163-F742 VanDerWaalsContact NH2-CA 3.35Å; R163-F742 PolarHBondContact NH2-O 2.8Å; R163-G743 PolarHBondContact NH2-O 2.82Å
164	K	33.4	Very low	32.2	Very low	198 Å²	198	136 Å²	136	86%	0.861	73%	0.731	S	S	*	*			trans	-116.2	139.9	-169.6	-58.1	-176.7	176.4	-168.2	0	111.2
165	T	34.3	Very low	31.9	Very low	118 Å²	118	134.2 Å²	134.2	72%	0.724	71%	0.712	S	S	*	*			trans	-130.7	148.8	138.1	49.5	0	0	0	0	107.9	R167	T165-R167 PolarHBondContact O-N 3.02Å
166	S	27.8	Very low	31.8	Very low	121 Å²	121	131.8 Å²	131.8	85%	0.846	70%	0.695	S	S	*	*			trans	-22.4	112.5	179.4	48.7	0	0	0	0	117.6
167	R	32.7	Very low	32.1	Very low	184 Å²	184	128.5 Å²	128.5	69%	0.694	68%	0.68	S	S	*	*			trans	-138.4	100.8	147.7	-131.5	178.1	-172.5	-151.1	-1.5	109.2	T165 S172	T165-R167 PolarHBondContact O-N 3.02Å; R167-S172 PolarHBondContact NH1-OG 3.27Å; R167-S172 PolarHBondContact NH2-OG 3.45Å; R167-S172 VanDerWaalsContact NH2-OG 3.15Å
168	T	31.8	Very low	32	Very low	122 Å²	122	126.3 Å²	126.3	75%	0.748	67%	0.673	S	S	*	*			trans	-61.9	160.3	155.1	32	0	0	0	0	109.1	D170	T168-D170 PolarHBondContact O-N 2.79Å; T168-D170 VanDerWaalsContact O-N 3.15Å
169	F	28.9	Very low	31.8	Very low	208 Å²	208	129.1 Å²	129.1	91%	0.912	67%	0.67	S	S	*	*	S	Bend	trans	-59.2	115.7	171.7	-63.3	-90.9	0	0	0	109.9
170	D	27.2	Very low	32.2	Very low	122 Å²	122	129 Å²	129	65%	0.652	67%	0.674	S	S	*	*			trans	-166.8	123.1	160.2	-96.2	-41.5	0	0	0	111	T168	T168-D170 PolarHBondContact O-N 2.79Å; T168-D170 VanDerWaalsContact O-N 3.15Å
171	I	28.7	Very low	32.1	Very low	110 Å²	110	129.7 Å²	129.7	56%	0.564	67%	0.669	S	S	*	*	S	Bend	trans	50.8	72.7	143.1	-47.3	179.6	0	0	0	117	T752	I171-T752 VanDerWaalsContact CG2-N 3.31Å
172	S	27.6	Very low	31.8	Very low	33 Å²	33	124.3 Å²	124.3	23%	0.231	66%	0.664	C	S	.	*			trans	-159.5	48	160.1	84.6	0	0	0	0	117.1	R167 I750 S751	R167-S172 PolarHBondContact NH1-OG 3.27Å; R167-S172 PolarHBondContact NH2-OG 3.45Å; R167-S172 VanDerWaalsContact NH2-OG 3.15Å; S172-I750 WeakPolarHBondContact CA-O 3.45Å; S172-S751 CarbonylContact C-O 3.18Å; S172-S751 VanDerWaalsContact CA-C 3.49Å; S172-S751 WeakPolarHBondContact CA-O 3.39Å
173	T	36.1	Very low	31.5	Very low	134 Å²	134	123.4 Å²	123.4	82%	0.822	67%	0.667	S	S	*	*	S	Bend	trans	-135.9	3.3	178.5	33.8	0	0	0	0	118.1	S751	T173-S751 PolarHBondContact N-O 3.26Å
174	V	35.5	Very low	31.4	Very low	110 Å²	110	122.4 Å²	122.4	67%	0.667	68%	0.675	S	S	*	*	S	Bend	trans	-139.2	55.4	170.7	-158.6	0	0	0	0	111.7	S751 T752	V174-S751 PolarHBondContact N-O 2.83Å; V174-S751 PolarHBondContact O-OG 3.11Å; V174-T752 VanDerWaalsContact CA-OG1 3.32Å; V174-T752 WeakPolarHBondContact CA-OG1 3.38Å; V174-T752 HydrophobicContact CB-CG2 3.88Å; V174-T752 WeakPolarHBondContact CB-OG1 3.5Å; V174-T752 WeakPolarHBondContact CG2-OG1 3.31Å; V174-T752 PolarHBondContact N-OG1 3.38Å; V174-T752 VanDerWaalsContact O-CB 3.28Å; V174-T752 WeakPolarHBondContact O-CB 3.37Å; V174-T752 VanDerWaalsContact O-CG2 3.31Å; V174-T752 WeakPolarHBondContact O-CG2 3.43Å
175	G	27	Very low	31.2	Very low	27 Å²	27	122.1 Å²	122.1	28%	0.278	67%	0.674	S	S	.	*			trans	173.9	26.5	166.3	0	0	0	0	0	117	T177 I750 S751	G175-T177 PolarHBondContact O-N 3.37Å; G175-I750 VanDerWaalsContact O-CB 3.3Å; G175-I750 WeakPolarHBondContact O-CB 3.4Å; G175-I750 WeakPolarHBondContact O-CG2 3.36Å; G175-S751 PolarHBondContact N-O 3.35Å
176	C	30	Very low	31.3	Very low	66 Å²	66	121.1 Å²	121.1	45%	0.446	67%	0.668	S	S	.	*			trans	-65.6	89.1	151.2	-72.4	0	0	0	0	108.4	H178 P749 I750	C176-H178 PolarHBondContact O-N 3.06Å; C176-P749 PolarHBondContact SG-O 2.87Å; C176-I750 PolarHBondContact SG-O 2.72Å
177	T	32.9	Very low	31.5	Very low	80 Å²	80	118.3 Å²	118.3	49%	0.491	65%	0.649	S	S	.	*			trans	-56.3	132.8	158.4	43.2	0	0	0	0	107.9	G175 D179	G175-T177 PolarHBondContact O-N 3.37Å; T177-D179 WeakPolarHBondContact CB-OD1 3.37Å; T177-D179 PolarHBondContact OG1-OD1 3.38Å
178	H	35.6	Very low	31.8	Very low	179 Å²	179	117 Å²	117	83%	0.829	66%	0.655	S	S	*	*			trans	-83	111.5	151.3	-95.2	45.5	0	0	0	105.4	C176 V180	C176-H178 PolarHBondContact O-N 3.06Å; H178-V180 PolarHBondContact O-N 3.06Å
179	D	31.4	Very low	32.1	Very low	131 Å²	131	121.3 Å²	121.3	70%	0.701	66%	0.657	S	S	*	*	S	Bend	trans	-77.2	55.8	-167.7	-62.3	-45	0	0	0	112.8	T177	T177-D179 WeakPolarHBondContact CB-OD1 3.37Å; T177-D179 PolarHBondContact OG1-OD1 3.38Å
180	V	34.2	Very low	32.5	Very low	140 Å²	140	116.2 Å²	116.2	85%	0.848	64%	0.636	S	S	*	*	S	Bend	trans	-132.5	27.2	165.5	-153.7	0	0	0	0	111.7	H178	H178-V180 PolarHBondContact O-N 3.06Å
181	D	32.3	Very low	33.3	Very low	135 Å²	135	117.4 Å²	117.4	72%	0.722	64%	0.642	S	S	*	*	S	Bend	trans	-149.1	102.6	149.6	-122	-29.3	0	0	0	108.3
182	G	29.5	Very low	33.5	Very low	65 Å²	65	118.7 Å²	118.7	67%	0.67	65%	0.65	S	S	*	*			trans	-74.4	-169.3	-175.9	0	0	0	0	0	112.5	S184	G182-S184 PolarHBondContact O-N 3.2Å
183	F	30.5	Very low	33.8	Very low	208 Å²	208	121.1 Å²	121.1	91%	0.912	67%	0.667	S	S	*	*			trans	-65.4	83.7	162.4	-75.7	-89.5	0	0	0	109.6	F185	F183-F185 VanDerWaalsContact C-N 3.32Å; F183-F185 PolarHBondContact O-N 3.49Å
184	S	31.6	Very low	33.5	Very low	80 Å²	80	117.5 Å²	117.5	56%	0.559	66%	0.656	S	S	*	*			trans	-58.3	99.7	164.6	-85.2	0	0	0	0	107.7	G182 T186	G182-S184 PolarHBondContact O-N 3.2Å; S184-T186 PolarHBondContact O-N 3.43Å
185	F	30.5	Very low	33.3	Very low	191 Å²	191	117.8 Å²	117.8	84%	0.838	65%	0.654	S	S	*	*			trans	-51.9	110.8	156.8	-78.4	-90.4	0	0	0	106.2	F183 S187	F183-F185 VanDerWaalsContact C-N 3.32Å; F183-F185 PolarHBondContact O-N 3.49Å; F185-S187 PolarHBondContact O-N 3.14Å
186	T	34.6	Very low	33.7	Very low	97 Å²	97	121 Å²	121	60%	0.595	68%	0.678	S	S	*	*			trans	-62.7	91.7	164.2	45.4	0	0	0	0	106.7	S184 Q190	S184-T186 PolarHBondContact O-N 3.43Å; T186-Q190 HydrophobicContact CG2-CB 3.81Å; T186-Q190 HydrophobicContact CG2-CG 4.35Å
187	S	33.8	Very low	34	Very low	63 Å²	63	124.1 Å²	124.1	44%	0.441	70%	0.695	S	S	.	*			trans	-54.7	165.2	173.8	73	0	0	0	0	108.6	F185 R189 Q190	F185-S187 PolarHBondContact O-N 3.14Å; S187-R189 PolarHBondContact O-N 3.02Å; S187-Q190 PolarHBondContact O-N 3.14Å
188	L	38	Very low	33.6	Very low	157 Å²	157	124 Å²	124	82%	0.822	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-1.8	-179	-82.4	77.9	0	0	0	114.4
189	R	38.1	Very low	33.4	Very low	211 Å²	211	121.3 Å²	121.3	80%	0.796	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-26.9	169.8	-62.4	-175.4	175.7	-133.3	-1.7	114.7	S187 L191 N192	S187-R189 PolarHBondContact O-N 3.02Å; R189-L191 VanDerWaalsContact C-N 3.26Å; R189-L191 PolarHBondContact O-N 3.26Å; R189-N192 WeakPolarHBondContact O-CB 3.05Å; R189-N192 PolarHBondContact O-N 2.85Å; R189-N192 VanDerWaalsContact O-N 3.11Å
190	Q	37.9	Very low	33.2	Very low	102 Å²	102	121.5 Å²	121.5	48%	0.477	71%	0.711	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	3	-178.5	-109	167.6	-37.2	0	0	114.3	T186 S187 N192	T186-Q190 HydrophobicContact CG2-CB 3.81Å; T186-Q190 HydrophobicContact CG2-CG 4.35Å; S187-Q190 PolarHBondContact O-N 3.14Å; Q190-N192 VanDerWaalsContact C-N 3.3Å
191	L	43.2	Very low	32.8	Very low	147 Å²	147	119.3 Å²	119.3	77%	0.77	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	0	161.7	-72	170.7	0	0	0	112.8	R189	R189-L191 VanDerWaalsContact C-N 3.26Å; R189-L191 PolarHBondContact O-N 3.26Å
192	N	33.3	Very low	32.6	Very low	136 Å²	136	118.8 Å²	118.8	73%	0.727	70%	0.703	S	S	*	*	S	Bend	trans	-111.9	5.2	-177.7	-61.7	-15.2	0	0	0	113.9	R189 Q190	R189-N192 WeakPolarHBondContact O-CB 3.05Å; R189-N192 PolarHBondContact O-N 2.85Å; R189-N192 VanDerWaalsContact O-N 3.11Å; Q190-N192 VanDerWaalsContact C-N 3.3Å
193	S	34.3	Very low	32.7	Very low	85 Å²	85	120.3 Å²	120.3	59%	0.594	71%	0.71	S	S	*	*			trans	-96.2	118.3	169.8	49.1	0	0	0	0	109.7
194	G	30.1	Very low	32.6	Very low	57 Å²	57	114.5 Å²	114.5	59%	0.588	69%	0.692	S	S	*	*			trans	-83.3	-172.7	178.3	0	0	0	0	0	114.1
195	D	31.4	Very low	32.3	Very low	116 Å²	116	113.1 Å²	113.1	62%	0.62	68%	0.678	S	S	*	*			trans	64.8	95.5	161.6	-48.9	-51.5	0	0	0	118.7	V243	D195-V243 VanDerWaalsContact OD2-CG1 3.29Å; D195-V243 WeakPolarHBondContact OD2-CG1 3.42Å
196	A	33.7	Very low	32.1	Very low	95 Å²	95	110 Å²	110	79%	0.785	67%	0.67	S	S	*	*			trans	-155.5	115.8	136.9	0	0	0	0	0	111.2
197	V	36.5	Very low	31.7	Very low	132 Å²	132	115.7 Å²	115.7	80%	0.8	68%	0.68	S	S	*	*			trans	47.4	104	152.7	-170.1	0	0	0	0	117.9	V199	V197-V199 HydrophobicContact CG1-CG2 4.05Å
198	G	25	Very low	31.4	Very low	78 Å²	78	121.3 Å²	121.3	80%	0.804	70%	0.704	S	S	*	*			trans	-83.1	148	155.5	0	0	0	0	0	111.5
199	V	30.9	Very low	31.1	Very low	121 Å²	121	119 Å²	119	73%	0.733	70%	0.699	S	S	*	*			trans	-128.9	113.9	167.8	-179.7	0	0	0	0	108.8	V197	V197-V199 HydrophobicContact CG1-CG2 4.05Å
200	T	27.9	Very low	30.4	Very low	136 Å²	136	114.4 Å²	114.4	83%	0.834	70%	0.699	S	S	*	*			trans	-67.9	138.2	173.9	-48.6	0	0	0	0	109.8
201	V	25.9	Very low	30.2	Very low	94 Å²	94	118.7 Å²	118.7	57%	0.57	72%	0.716	S	S	*	*			trans	-119.3	91.9	-179	-176.3	0	0	0	0	111.3
202	C	28.6	Very low	29.5	Very low	123 Å²	123	118 Å²	118	83%	0.831	72%	0.718	S	S	*	*			trans	-152.1	140	157.7	-74.4	0	0	0	0	106
203	A	30.3	Very low	29.4	Very low	98 Å²	98	116.8 Å²	116.8	81%	0.81	72%	0.72	S	S	*	*			cis	-148.7	164.9	-20.2	0	0	0	0	0	106.6
204	T	28.2	Very low	29.1	Very low	86 Å²	86	119.8 Å²	119.8	53%	0.528	73%	0.729	S	S	.	*			trans	-79.7	167.2	-172.8	-21.2	0	0	0	0	113.3	N141	N141-T204 WeakPolarHBondContact O-CB 3.2Å; N141-T204 WeakPolarHBondContact O-CG2 3.29Å; N141-T204 PolarHBondContact O-OG1 3.33Å
205	D	25.7	Very low	29.1	Very low	51 Å²	51	128.7 Å²	128.7	27%	0.273	75%	0.745	S	S	.	*			trans	80.9	87.2	156.9	-42.3	-44.8	0	0	0	120.1	N141 D142 I143	N141-D205 VanDerWaalsContact CB-OD2 3.22Å; N141-D205 WeakPolarHBondContact CB-OD2 2.75Å; D142-D205 VanDerWaalsContact CB-OD1 3.3Å; D142-D205 WeakPolarHBondContact CB-OD1 3.09Å; D142-D205 PolarHBondContact N-OD1 2.86Å; I143-D205 HydrophobicContact CD1-CB 4.16Å; I143-D205 WeakPolarHBondContact CG1-OD1 3.47Å
206	N	26.3	Very low	28.9	Very low	125 Å²	125	130.4 Å²	130.4	67%	0.668	75%	0.754	S	S	*	*				173.6	145	92.7	-96.3	-74.7	0	0	0	114.9
207	R	25.7	Very low	28.8	Very low	216 Å²	216	130.6 Å²	130.6	82%	0.815	75%	0.75	S	S	*	*			trans	49.6	121.2	157	-64.7	178	175.5	-175.1	-3.6	118.8	P209	R207-P209 WeakPolarHBondContact O-CD 3.16Å
208	L	29.2	Very low	28.5	Very low	181 Å²	181	135.8 Å²	135.8	95%	0.948	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-73.8	118.1	140.6	-98.7	154.2	0	0	0	109.4
209	P	31	Very low	28.6	Very low	108 Å²	108	137 Å²	137	70%	0.701	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-97	149.7	146.7	35	-32.1	0	0	0	110.1	R207	R207-P209 WeakPolarHBondContact O-CD 3.16Å
210	S	24.4	Very low	28.5	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-77.9	142.7	-174.9	46.4	0	0	0	0	114.3
211	K	32.1	Very low	28.5	Very low	192 Å²	192	139.9 Å²	139.9	84%	0.835	76%	0.757	S	S	*	*				-160.1	118.7	122.5	-102.4	171.8	-178.6	-175.1	0	108.2
212	V	30.1	Very low	28.5	Very low	132 Å²	132	140.9 Å²	140.9	80%	0.8	76%	0.763	S	S	*	*				59.3	105	95	177.4	0	0	0	0	109.9
213	S	30	Very low	28.5	Very low	112 Å²	112	143.7 Å²	143.7	78%	0.783	77%	0.765	S	S	*	*				-161.7	162.4	63.1	-161.9	0	0	0	0	113.5
214	D	28.4	Very low	28.3	Very low	147 Å²	147	144.4 Å²	144.4	79%	0.786	76%	0.759	S	S	*	*			trans	-76.3	154.2	-176.4	-58.8	-90.8	0	0	0	115.5
215	R	30.4	Very low	28.3	Very low	245 Å²	245	148.9 Å²	148.9	93%	0.925	77%	0.771	S	S	*	*				-164.6	106.8	110.2	-106.2	174.7	-174.5	177.7	3.9	113.3
216	N	27.8	Very low	28.5	Very low	151 Å²	151	152.2 Å²	152.2	81%	0.807	79%	0.789	S	S	*	*			trans	-100.4	147.8	155.6	-96.8	-32.8	0	0	0	109
217	S	30.2	Very low	28.6	Very low	100 Å²	100	153.7 Å²	153.7	70%	0.699	79%	0.792	S	S	*	*			trans	64.8	160.1	176.4	16.2	0	0	0	0	115.8
218	R	31	Very low	28.8	Very low	241 Å²	241	148.2 Å²	148.2	91%	0.909	79%	0.785	S	S	*	*			cis	-145.3	173.8	9.2	-131.2	164.6	-148.4	176.6	5.7	110.7
219	S	26.1	Very low	28.9	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	78%	0.778	S	S	*	*			trans	-86.6	142.7	-175.1	54.4	0	0	0	0	114.8
220	V	29.3	Very low	29	Very low	147 Å²	147	149 Å²	149	89%	0.891	78%	0.779	S	S	*	*			trans	76.6	142.9	164.1	-174.9	0	0	0	0	117.1
221	Q	27.3	Very low	29.4	Very low	171 Å²	171	149.2 Å²	149.2	80%	0.799	77%	0.771	S	S	*	*			trans	-88.4	153.7	-173.8	-155.1	168.2	-4.1	0	0	109.6
222	T	26.1	Very low	29.4	Very low	114 Å²	114	150.8 Å²	150.8	70%	0.699	77%	0.772	S	S	*	*				-172.8	166.4	57.5	-44.9	0	0	0	0	110.8
223	Q	28.6	Very low	29.5	Very low	183 Å²	183	150.9 Å²	150.9	86%	0.855	77%	0.773	S	S	*	*			trans	72.3	150.6	172.7	-69.4	-171.8	-24.7	0	0	118
224	V	26.3	Very low	29.3	Very low	113 Å²	113	151.7 Å²	151.7	69%	0.685	77%	0.773	S	S	*	*				-176.1	126.5	-58	139.4	0	0	0	0	108.8
225	F	28.1	Very low	29.4	Very low	179 Å²	179	150.5 Å²	150.5	79%	0.785	78%	0.776	S	S	*	*			trans	165.4	126	134.5	-98.2	-68.1	0	0	0	111.9
226	N	30.5	Very low	29.1	Very low	121 Å²	121	145 Å²	145	65%	0.647	77%	0.77	S	S	*	*			trans	60.7	143.2	155.3	-62.4	3.8	0	0	0	120.5
227	E	28.7	Very low	29.2	Very low	157 Å²	157	142.5 Å²	142.5	73%	0.734	76%	0.76	S	S	*	*			cis	-156.6	155.8	0.2	-122.5	155.5	-131.8	0	0	111.4
228	C	29.5	Very low	29	Very low	100 Å²	100	141.4 Å²	141.4	68%	0.676	75%	0.753	S	S	*	*			trans	53.7	120.8	173.3	-67.7	0	0	0	0	118.6
229	E	30.7	Very low	28.8	Very low	170 Å²	170	135.5 Å²	135.5	79%	0.794	75%	0.748	S	S	*	*				78	133.8	67.7	-69.3	167.5	171	0	0	112.8
230	D	32.8	Very low	29	Very low	137 Å²	137	136.5 Å²	136.5	73%	0.733	75%	0.75	S	S	*	*			cis	-145.1	170.1	15.9	-139	-17.6	0	0	0	114.4
231	D	32.6	Very low	28.9	Very low	119 Å²	119	133 Å²	133	64%	0.636	74%	0.744	S	S	*	*			trans	15.4	124.4	174.2	-82.5	-27.2	0	0	0	121.5
232	R	32.6	Very low	28.8	Very low	224 Å²	224	130.8 Å²	130.8	85%	0.845	75%	0.747	S	S	*	*				63.1	133.1	62.2	-63.4	175.7	167.7	157.6	-2.4	114
233	T	31.6	Very low	28.8	Very low	134 Å²	134	129.2 Å²	129.2	82%	0.822	74%	0.738	S	S	*	*			cis	-133.3	162.1	15.5	41.1	0	0	0	0	113.4
234	V	27	Very low	28.7	Very low	129 Å²	129	132 Å²	132	78%	0.782	74%	0.74	S	S	*	*			trans	-123.9	135.9	169	171.5	0	0	0	0	108.8
235	S	29.6	Very low	28.6	Very low	122 Å²	122	131.1 Å²	131.1	85%	0.853	74%	0.739	S	S	*	*			trans	-160.1	129.5	150.7	-85.1	0	0	0	0	111.7
236	T	24.9	Very low	28.6	Very low	131 Å²	131	127.1 Å²	127.1	80%	0.804	73%	0.733	S	S	*	*			trans	-90.6	139.3	174.5	48.2	0	0	0	0	111.4
237	T	30.2	Very low	28.7	Very low	98 Å²	98	125.4 Å²	125.4	60%	0.601	73%	0.729	S	S	*	*			trans	-145.9	164.7	153.4	11.5	0	0	0	0	109.6	D296 F297	T237-D296 WeakPolarHBondContact CB-OD2 3.21Å; T237-D296 PolarHBondContact OG1-OD2 3.34Å; T237-F297 HydrophobicContact CG2-CD2 3.79Å; T237-F297 HydrophobicContact CG2-CE2 3.73Å; T237-F297 HydrophobicContact CG2-CZ 4.32Å
238	S	24.9	Very low	28.7	Very low	76 Å²	76	125.4 Å²	125.4	53%	0.531	73%	0.734	S	S	.	*			trans	-114.6	122.4	-155	50.4	0	0	0	0	115	T240 F297	S238-T240 PolarHBondContact O-N 3.38Å; S238-F297 WeakPolarHBondContact O-CZ 3.34Å
239	S	26.6	Very low	28.9	Very low	118 Å²	118	125.4 Å²	125.4	83%	0.825	73%	0.727	S	S	*	*			trans	-80.6	106.4	166.7	-170.4	0	0	0	0	110.8
240	T	31.6	Very low	29.3	Very low	124 Å²	124	124.2 Å²	124.2	76%	0.761	73%	0.725	S	S	*	*			trans	-79.2	123.6	170.9	38.3	0	0	0	0	110.7	S238 S242	S238-T240 PolarHBondContact O-N 3.38Å; T240-S242 PolarHBondContact O-N 3.15Å
241	G	26.1	Very low	29.7	Very low	74 Å²	74	123.2 Å²	123.2	76%	0.763	73%	0.728	S	S	*	*			trans	-66.1	119.3	-177	0	0	0	0	0	112.9	V243	G241-V243 PolarHBondContact O-N 2.84Å
242	S	25.6	Very low	30.2	Very low	123 Å²	123	119.1 Å²	119.1	86%	0.86	72%	0.715	S	S	*	*			trans	-76.6	110.5	173.3	-169.9	0	0	0	0	110.7	T240 R244	T240-S242 PolarHBondContact O-N 3.15Å; S242-R244 PolarHBondContact O-N 3.48Å
243	V	25.6	Very low	30.9	Very low	82 Å²	82	112.6 Å²	112.6	50%	0.497	70%	0.703	S	S	.	*			trans	-67.8	122.1	178.7	175	0	0	0	0	110.6	D195 G241	D195-V243 VanDerWaalsContact OD2-CG1 3.29Å; D195-V243 WeakPolarHBondContact OD2-CG1 3.42Å; G241-V243 PolarHBondContact O-N 2.84Å
244	R	26.9	Very low	31.6	Very low	240 Å²	240	107.9 Å²	107.9	91%	0.906	68%	0.678	S	S	*	*			trans	-123.5	78.1	166.5	-163.7	173.1	-171.4	168.2	4.1	111.4	S242 S246	S242-R244 PolarHBondContact O-N 3.48Å; R244-S246 PolarHBondContact O-N 2.8Å
245	S	25	Very low	32.8	Very low	96 Å²	96	104.7 Å²	104.7	67%	0.671	67%	0.665	S	S	*	*			trans	-76.8	98.3	-174.5	40.2	0	0	0	0	113.3
246	S	26.5	Very low	34.2	Very low	94 Å²	94	101.3 Å²	101.3	66%	0.657	65%	0.645	S	S	*	*			trans	-164.6	140.7	166.1	-150.4	0	0	0	0	113.5	R244	R244-S246 PolarHBondContact O-N 2.8Å
247	P	34.2	Very low	35.6	Very low	86 Å²	86	96.7 Å²	96.7	56%	0.558	62%	0.615	S	S	*	*			cis	-121.7	139.8	-32.4	35	-21.5	0	0	0	111.8	N249	P247-N249 PolarHBondContact O-N 3.35Å
248	N	28.6	Very low	36.8	Very low	156 Å²	156	98.1 Å²	98.1	83%	0.834	61%	0.609	S	S	*	*			trans	-67.2	96.8	177.4	-91.7	-26.5	0	0	0	111.9	I250	N248-I250 HydrophobicContact CB-CG1 4.16Å; N248-I250 PolarHBondContact O-N 2.75Å
249	N	33	Very low	38.5	Very low	101 Å²	101	104.7 Å²	104.7	54%	0.54	62%	0.623	S	S	.	*			trans	-70.5	65.4	167.3	-81.1	-27.1	0	0	0	110.7	P247 S251	P247-N249 PolarHBondContact O-N 3.35Å; N249-S251 PolarHBondContact O-N 2.78Å
250	I	39.8	Very low	40.1	Very low	144 Å²	144	107.9 Å²	107.9	74%	0.738	62%	0.622	S	S	*	*			trans	-62.2	113.8	172.8	-58.4	179.6	0	0	0	107.7	N248 G252	N248-I250 HydrophobicContact CB-CG1 4.16Å; N248-I250 PolarHBondContact O-N 2.75Å; I250-G252 PolarHBondContact O-N 3.15Å
251	S	39.7	Very low	41.8	Very low	116 Å²	116	105.5 Å²	105.5	81%	0.811	60%	0.603	S	S	*	*			trans	-70.3	72.5	179.9	44.7	0	0	0	0	111.1	N249 S253	N249-S251 PolarHBondContact O-N 2.78Å; S251-S253 PolarHBondContact O-N 2.81Å
252	G	44.2	Very low	43.5	Very low	34 Å²	34	106 Å²	106	35%	0.351	59%	0.593	S	S	.	*			trans	-56	104.5	-179.4	0	0	0	0	0	111.4	I250	I250-G252 PolarHBondContact O-N 3.15Å
253	S	47.2	Very low	45.4	Very low	86 Å²	86	110 Å²	110	60%	0.601	59%	0.591	S	S	*	*			trans	-47.9	142.9	-177.9	-179.2	0	0	0	0	112.1	S251 A255 A256 L257	S251-S253 PolarHBondContact O-N 2.81Å; S253-A255 PolarHBondContact O-N 3.48Å; S253-A256 WeakPolarHBondContact O-CA 3.39Å; S253-A256 WeakPolarHBondContact O-CB 3.16Å; S253-A256 PolarHBondContact O-N 2.9Å; S253-L257 PolarHBondContact O-N 3.07Å
254	A	46.4	Very low	47.9	Very low	36 Å²	36	108.1 Å²	108.1	30%	0.298	58%	0.577	S	S	.	*	H	α-helix	trans	-42.9	-40.2	-178.9	0	0	0	0	0	114.1	A256 L257 R258 L269 L273	A254-A256 VanDerWaalsContact C-N 3.33Å; A254-A256 PolarHBondContact O-N 3.29Å; A254-L257 PolarHBondContact O-N 3.45Å; A254-R258 PolarHBondContact O-N 3.29Å; A254-R258 VanDerWaalsContact O-N 3.08Å; A254-L269 HydrophobicContact CB-CD2 3.71Å; A254-L273 HydrophobicContact CB-CD1 3.8Å
255	A	52.3	Low	50	Low	61 Å²	61	98.8 Å²	98.8	50%	0.504	55%	0.549	S	S	.	.	H	α-helix	trans	-69.5	-22.3	179.9	0	0	0	0	0	114.7	S253 R259	S253-A255 PolarHBondContact O-N 3.48Å; A255-R259 WeakPolarHBondContact O-CG 3.44Å
256	A	57.9	Low	52.1	Low	52 Å²	52	97.5 Å²	97.5	43%	0.43	54%	0.538	S	S	.	.	H	α-helix	trans	-81.7	-38.7	173.2	0	0	0	0	0	111.4	S253 A254 R259 K260	S253-A256 WeakPolarHBondContact O-CA 3.39Å; S253-A256 WeakPolarHBondContact O-CB 3.16Å; S253-A256 PolarHBondContact O-N 2.9Å; A254-A256 VanDerWaalsContact C-N 3.33Å; A254-A256 PolarHBondContact O-N 3.29Å; A256-R259 WeakPolarHBondContact O-CB 3.38Å; A256-R259 PolarHBondContact O-N 3.01Å; A256-R259 VanDerWaalsContact O-N 3.11Å; A256-K260 PolarHBondContact O-N 2.81Å
257	L	55.6	Low	53.9	Low	33 Å²	33	97 Å²	97	17%	0.173	54%	0.535	C	S	.	.	H	α-helix	trans	-67.6	-41.1	178.5	-131.5	149.7	0	0	0	111.1	S253 A254 R259 K260 I261 L269	S253-L257 PolarHBondContact O-N 3.07Å; A254-L257 PolarHBondContact O-N 3.45Å; L257-R259 PolarHBondContact O-N 3.01Å; L257-R259 VanDerWaalsContact O-N 3.1Å; L257-K260 PolarHBondContact O-N 3.25Å; L257-I261 PolarHBondContact O-N 3.29Å; L257-I261 VanDerWaalsContact O-N 3.09Å; L257-L269 HydrophobicContact CB-CD1 4Å; L257-L269 HydrophobicContact CD2-CD1 4.34Å
258	R	54.9	Low	55.7	Low	129 Å²	129	97.9 Å²	97.9	49%	0.487	53%	0.531	S	S	.	.	H	α-helix	trans	-59	-18	169.4	-72.6	-170.3	-176.5	-177.8	5.2	114.8	A254 L269	A254-R258 PolarHBondContact O-N 3.29Å; A254-R258 VanDerWaalsContact O-N 3.08Å; R258-L269 HydrophobicContact CB-CD1 4.44Å; R258-L269 HydrophobicContact CG-CD1 3.46Å; R258-L269 VanDerWaalsContact CG-CD1 3.46Å; R258-L269 HydrophobicContact CG-CD2 4.33Å
259	R	60.8	Low	57.8	Low	214 Å²	214	90.6 Å²	90.6	81%	0.808	49%	0.492	S	S	*	.	H	α-helix	trans	-87.5	-23.8	173.7	-68	172.8	-171.6	-164.8	1.5	113.1	A255 A256 L257	A255-R259 WeakPolarHBondContact O-CG 3.44Å; A256-R259 WeakPolarHBondContact O-CB 3.38Å; A256-R259 PolarHBondContact O-N 3.01Å; A256-R259 VanDerWaalsContact O-N 3.11Å; L257-R259 PolarHBondContact O-N 3.01Å; L257-R259 VanDerWaalsContact O-N 3.1Å
260	K	59.9	Low	59.6	Low	185 Å²	185	91 Å²	91	80%	0.804	49%	0.491	S	S	*	.	H	α-helix	trans	-86.4	-34	176.7	-74	-167.8	173.4	-173.4	0	112.7	A256 L257	A256-K260 PolarHBondContact O-N 2.81Å; L257-K260 PolarHBondContact O-N 3.25Å
261	I	67.5	Low	60.7	Low	73 Å²	73	86.4 Å²	86.4	37%	0.374	47%	0.474	S	S	.	.			trans	-129.1	89.2	177.7	-48.9	175.1	0	0	0	108.7	L257 Y263 M264	L257-I261 PolarHBondContact O-N 3.29Å; L257-I261 VanDerWaalsContact O-N 3.09Å; I261-Y263 HydrophobicContact CG2-CD2 4.36Å; I261-Y263 PolarHBondContact O-N 3.41Å; I261-Y263 VanDerWaalsContact O-N 3.08Å; I261-M264 HydrophobicContact CB-CG 4.23Å; I261-M264 HydrophobicContact CB-SD 3.97Å; I261-M264 HydrophobicContact CD1-SD 3.69Å; I261-M264 HydrophobicContact CG1-SD 4.4Å; I261-M264 HydrophobicContact CG2-CB 4.45Å; I261-M264 HydrophobicContact CG2-CG 3.69Å; I261-M264 HydrophobicContact CG2-SD 3.97Å
262	P	61.8	Low	61.8	Low	86 Å²	86	84.9 Å²	84.9	56%	0.558	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.2	-176.3	-23.2	34.7	0	0	0	115
263	Y	65.8	Low	62.9	Low	207 Å²	207	85.4 Å²	85.4	81%	0.812	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-9.2	-168.6	-35.8	-64.6	0	0	0	113.8	I261	I261-Y263 HydrophobicContact CG2-CD2 4.36Å; I261-Y263 PolarHBondContact O-N 3.41Å; I261-Y263 VanDerWaalsContact O-N 3.08Å
264	M	77.1	Confident	63.6	Low	42 Å²	42	86.8 Å²	86.8	21%	0.207	45%	0.449	C	S	.	.			trans	-73	134.5	177	-78.3	173.9	78.8	0	0	111.1	I261 E268 H272	I261-M264 HydrophobicContact CB-CG 4.23Å; I261-M264 HydrophobicContact CB-SD 3.97Å; I261-M264 HydrophobicContact CD1-SD 3.69Å; I261-M264 HydrophobicContact CG1-SD 4.4Å; I261-M264 HydrophobicContact CG2-CB 4.45Å; I261-M264 HydrophobicContact CG2-CG 3.69Å; I261-M264 HydrophobicContact CG2-SD 3.97Å; M264-E268 HydrophobicContact CB-CB 4.48Å; M264-E268 HydrophobicContact CE-CB 3.73Å; M264-H272 HydrophobicContact CE-CB 4.41Å
265	S	71.5	Confident	64	Low	44 Å²	44	87.6 Å²	87.6	31%	0.308	45%	0.453	S	S	.	.			trans	-64.1	162.4	170.5	67.1	0	0	0	0	112	S267 E268 L269	S265-S267 VanDerWaalsContact C-N 3.26Å; S265-S267 PolarHBondContact O-N 3.32Å; S265-E268 VanDerWaalsContact CB-OE2 3.23Å; S265-E268 WeakPolarHBondContact CB-OE2 3.09Å; S265-E268 PolarHBondContact N-OE2 2.8Å; S265-E268 VanDerWaalsContact OG-CG 3.3Å; S265-E268 WeakPolarHBondContact OG-CG 3.13Å; S265-E268 PolarHBondContact OG-N 3.14Å; S265-E268 PolarHBondContact OG-OE2 2.94Å; S265-L269 PolarHBondContact O-N 3.21Å
266	P	69	Low	64.1	Low	68 Å²	68	87.8 Å²	87.8	44%	0.442	45%	0.448	S	S	.	.	H	α-helix	trans	-54	-42.3	172.2	-26.7	36.3	0	0	0	112.9	L269 E270	P266-L269 WeakPolarHBondContact O-CB 3.21Å; P266-L269 PolarHBondContact O-N 2.8Å; P266-E270 WeakPolarHBondContact O-CG 3.13Å; P266-E270 PolarHBondContact O-N 2.86Å
267	S	65.1	Low	63.6	Low	85 Å²	85	92.3 Å²	92.3	59%	0.594	46%	0.458	S	S	*	.	H	α-helix	trans	-69.7	-41	-175.6	-49.8	0	0	0	0	113.3	S265 L269 E270 A271	S265-S267 VanDerWaalsContact C-N 3.26Å; S265-S267 PolarHBondContact O-N 3.32Å; S267-L269 VanDerWaalsContact C-N 3.26Å; S267-L269 PolarHBondContact O-N 3.29Å; S267-E270 PolarHBondContact O-N 3.46Å; S267-A271 WeakPolarHBondContact O-CB 3.12Å; S267-A271 PolarHBondContact O-N 3.24Å
268	E	72.2	Confident	62.8	Low	103 Å²	103	93.6 Å²	93.6	48%	0.481	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-35.5	173.5	-69.9	163.2	110.9	0	0	111.6	M264 S265 H272	M264-E268 HydrophobicContact CB-CB 4.48Å; M264-E268 HydrophobicContact CE-CB 3.73Å; S265-E268 VanDerWaalsContact CB-OE2 3.23Å; S265-E268 WeakPolarHBondContact CB-OE2 3.09Å; S265-E268 PolarHBondContact N-OE2 2.8Å; S265-E268 VanDerWaalsContact OG-CG 3.3Å; S265-E268 WeakPolarHBondContact OG-CG 3.13Å; S265-E268 PolarHBondContact OG-N 3.14Å; S265-E268 PolarHBondContact OG-OE2 2.94Å; E268-H272 WeakPolarHBondContact O-CB 3.02Å; E268-H272 PolarHBondContact O-N 2.9Å
269	L	72.3	Confident	62.3	Low	3 Å²	3	91.4 Å²	91.4	2%	0.016	47%	0.47	C	S	.	.	H	α-helix	trans	-73.1	-37.2	178.6	-169	124.3	0	0	0	112	A254 L257 R258 S265 P266 S267 H272 L273	A254-L269 HydrophobicContact CB-CD2 3.71Å; L257-L269 HydrophobicContact CB-CD1 4Å; L257-L269 HydrophobicContact CD2-CD1 4.34Å; R258-L269 HydrophobicContact CB-CD1 4.44Å; R258-L269 HydrophobicContact CG-CD1 3.46Å; R258-L269 VanDerWaalsContact CG-CD1 3.46Å; R258-L269 HydrophobicContact CG-CD2 4.33Å; S265-L269 PolarHBondContact O-N 3.21Å; P266-L269 WeakPolarHBondContact O-CB 3.21Å; P266-L269 PolarHBondContact O-N 2.8Å; S267-L269 VanDerWaalsContact C-N 3.26Å; S267-L269 PolarHBondContact O-N 3.29Å; L269-H272 PolarHBondContact O-N 2.7Å; L269-L273 HydrophobicContact CD2-CD1 3.83Å; L269-L273 HydrophobicContact CG-CD1 4.44Å; L269-L273 WeakPolarHBondContact O-CB 3.46Å; L269-L273 WeakPolarHBondContact O-CD1 2.99Å; L269-L273 VanDerWaalsContact O-CG 3.25Å; L269-L273 WeakPolarHBondContact O-CG 3.01Å; L269-L273 PolarHBondContact O-N 3.27Å
270	E	70.4	Confident	61.6	Low	109 Å²	109	83.1 Å²	83.1	51%	0.509	45%	0.447	S	S	.	.	H	α-helix	trans	-65.5	-43.4	170.9	-76.8	166	-160	0	0	111.5	P266 S267 H272 L273 L274	P266-E270 WeakPolarHBondContact O-CG 3.13Å; P266-E270 PolarHBondContact O-N 2.86Å; S267-E270 PolarHBondContact O-N 3.46Å; E270-H272 VanDerWaalsContact C-N 3.35Å; E270-H272 PolarHBondContact O-N 3.37Å; E270-L273 PolarHBondContact O-N 2.61Å; E270-L274 WeakPolarHBondContact O-CB 3.04Å; E270-L274 VanDerWaalsContact O-CG 3.27Å; E270-L274 WeakPolarHBondContact O-CG 3.01Å; E270-L274 PolarHBondContact O-N 2.79Å
271	A	63.3	Low	60.4	Low	48 Å²	48	83.2 Å²	83.2	40%	0.397	44%	0.444	S	S	.	.	H	α-helix	trans	-59.2	-43.2	173.7	0	0	0	0	0	112.2	S267 L273 L274 S275	S267-A271 WeakPolarHBondContact O-CB 3.12Å; S267-A271 PolarHBondContact O-N 3.24Å; A271-L273 VanDerWaalsContact C-N 3.35Å; A271-L273 PolarHBondContact O-N 3.28Å; A271-L274 PolarHBondContact O-N 3.08Å; A271-S275 WeakPolarHBondContact O-CB 3.23Å; A271-S275 PolarHBondContact O-N 2.9Å
272	H	63.1	Low	59.2	Low	85 Å²	85	84.9 Å²	84.9	39%	0.394	46%	0.458	S	S	.	.	H	α-helix	trans	-63.9	-38.5	175.8	-167.3	-47.8	0	0	0	112.1	M264 E268 L269 E270 T276	M264-H272 HydrophobicContact CE-CB 4.41Å; E268-H272 WeakPolarHBondContact O-CB 3.02Å; E268-H272 PolarHBondContact O-N 2.9Å; L269-H272 PolarHBondContact O-N 2.7Å; E270-H272 VanDerWaalsContact C-N 3.35Å; E270-H272 PolarHBondContact O-N 3.37Å; H272-T276 PolarHBondContact O-N 3.41Å; H272-T276 VanDerWaalsContact O-N 3.14Å; H272-T276 PolarHBondContact O-OG1 2.92Å; H272-T276 VanDerWaalsContact O-OG1 3.14Å
273	L	67.5	Low	58.1	Low	45 Å²	45	83.9 Å²	83.9	24%	0.236	45%	0.453	C	S	.	.	H	α-helix	trans	-71.5	-38.2	177.4	-71.5	166.3	0	0	0	112.3	A254 L269 E270 A271 T276 K277	A254-L273 HydrophobicContact CB-CD1 3.8Å; L269-L273 HydrophobicContact CD2-CD1 3.83Å; L269-L273 HydrophobicContact CG-CD1 4.44Å; L269-L273 WeakPolarHBondContact O-CB 3.46Å; L269-L273 WeakPolarHBondContact O-CD1 2.99Å; L269-L273 VanDerWaalsContact O-CG 3.25Å; L269-L273 WeakPolarHBondContact O-CG 3.01Å; L269-L273 PolarHBondContact O-N 3.27Å; E270-L273 PolarHBondContact O-N 2.61Å; A271-L273 VanDerWaalsContact C-N 3.35Å; A271-L273 PolarHBondContact O-N 3.28Å; L273-T276 WeakPolarHBondContact CA-OG1 3.24Å; L273-T276 PolarHBondContact O-N 2.99Å; L273-T276 PolarHBondContact O-OG1 2.97Å; L273-K277 PolarHBondContact O-N 2.95Å
274	L	60.3	Low	56.6	Low	114 Å²	114	81.5 Å²	81.5	60%	0.597	45%	0.449	S	S	*	.	H	α-helix	trans	-66	-43.4	174.4	-72.8	165.7	0	0	0	111.5	E270 A271 T276 K277 A278	E270-L274 WeakPolarHBondContact O-CB 3.04Å; E270-L274 VanDerWaalsContact O-CG 3.27Å; E270-L274 WeakPolarHBondContact O-CG 3.01Å; E270-L274 PolarHBondContact O-N 2.79Å; A271-L274 PolarHBondContact O-N 3.08Å; L274-T276 VanDerWaalsContact C-N 3.34Å; L274-T276 PolarHBondContact O-N 3.34Å; L274-K277 WeakPolarHBondContact O-CB 3.03Å; L274-K277 PolarHBondContact O-N 3.44Å; L274-K277 VanDerWaalsContact O-N 3.1Å; L274-A278 PolarHBondContact O-N 2.83Å
275	S	56.1	Low	54.4	Low	54 Å²	54	88.8 Å²	88.8	38%	0.378	48%	0.476	S	S	.	.	H	α-helix	trans	-59.2	-42.7	174.2	-176.8	0	0	0	0	111.8	A271 K277 A278 L279	A271-S275 WeakPolarHBondContact O-CB 3.23Å; A271-S275 PolarHBondContact O-N 2.9Å; S275-K277 VanDerWaalsContact C-N 3.34Å; S275-K277 PolarHBondContact O-N 3.31Å; S275-A278 PolarHBondContact O-N 3.45Å; S275-L279 PolarHBondContact O-N 2.9Å
276	T	53.4	Low	52.6	Low	65 Å²	65	89.3 Å²	89.3	40%	0.399	48%	0.482	S	S	.	.	H	α-helix	trans	-68.5	-27.8	174.5	49.3	0	0	0	0	114.1	H272 L273 L274	H272-T276 PolarHBondContact O-N 3.41Å; H272-T276 VanDerWaalsContact O-N 3.14Å; H272-T276 PolarHBondContact O-OG1 2.92Å; H272-T276 VanDerWaalsContact O-OG1 3.14Å; L273-T276 WeakPolarHBondContact CA-OG1 3.24Å; L273-T276 PolarHBondContact O-N 2.99Å; L273-T276 PolarHBondContact O-OG1 2.97Å; L274-T276 VanDerWaalsContact C-N 3.34Å; L274-T276 PolarHBondContact O-N 3.34Å
277	K	49	Very low	51	Low	147 Å²	147	94 Å²	94	64%	0.639	50%	0.502	S	S	*	.	H	α-helix	trans	-71.3	-43.7	171.5	-79.2	-173.6	173.4	-171.5	0	111.7	L273 L274 S275 L279 A280	L273-K277 PolarHBondContact O-N 2.95Å; L274-K277 WeakPolarHBondContact O-CB 3.03Å; L274-K277 PolarHBondContact O-N 3.44Å; L274-K277 VanDerWaalsContact O-N 3.1Å; S275-K277 VanDerWaalsContact C-N 3.34Å; S275-K277 PolarHBondContact O-N 3.31Å; K277-L279 VanDerWaalsContact C-N 3.31Å; K277-L279 PolarHBondContact O-N 2.66Å; K277-A280 PolarHBondContact O-N 2.88Å
278	A	38.8	Very low	49.2	Very low	59 Å²	59	97.9 Å²	97.9	49%	0.488	51%	0.511	S	S	.	.	H	α-helix	trans	-57.9	-44.2	178.4	0	0	0	0	0	111.7	L274 S275 A280 Y281 T282	L274-A278 PolarHBondContact O-N 2.83Å; S275-A278 PolarHBondContact O-N 3.45Å; A278-A280 PolarHBondContact O-N 3.42Å; A278-Y281 PolarHBondContact O-N 3.18Å; A278-T282 PolarHBondContact O-N 3.42Å; A278-T282 PolarHBondContact O-OG1 3.3Å
279	L	43.5	Very low	47.2	Very low	84 Å²	84	99 Å²	99	44%	0.44	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-27.9	-179.4	-149.8	77	0	0	0	113.7	S275 K277 S283	S275-L279 PolarHBondContact O-N 2.9Å; K277-L279 VanDerWaalsContact C-N 3.31Å; K277-L279 PolarHBondContact O-N 2.66Å; L279-S283 PolarHBondContact O-OG 3.28Å
280	A	45.2	Very low	45.3	Very low	39 Å²	39	106.4 Å²	106.4	32%	0.322	56%	0.555	S	S	.	*	H	α-helix	trans	-74.4	-31.8	179	0	0	0	0	0	113	K277 A278 S283	K277-A280 PolarHBondContact O-N 2.88Å; A278-A280 PolarHBondContact O-N 3.42Å; A280-S283 PolarHBondContact O-OG 3.08Å
281	Y	36.4	Very low	43.4	Very low	187 Å²	187	107.2 Å²	107.2	73%	0.733	57%	0.568	S	S	*	*	H	α-helix	trans	-73.3	-31.2	175.9	-83.3	-87.2	0	0	0	112.4	A278 S283	A278-Y281 PolarHBondContact O-N 3.18Å; Y281-S283 PolarHBondContact O-N 3.37Å
282	T	41	Very low	41.7	Very low	109 Å²	109	110.5 Å²	110.5	67%	0.669	59%	0.588	S	S	*	*	H	α-helix	trans	-74	-23.5	179	-33.3	0	0	0	0	113.3	A278	A278-T282 PolarHBondContact O-N 3.42Å; A278-T282 PolarHBondContact O-OG1 3.3Å
283	S	38.5	Very low	40.2	Very low	65 Å²	65	110 Å²	110	46%	0.455	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	-17.1	-178.1	44.3	0	0	0	0	115.3	L279 A280 Y281	L279-S283 PolarHBondContact O-OG 3.28Å; A280-S283 PolarHBondContact O-OG 3.08Å; Y281-S283 PolarHBondContact O-N 3.37Å
284	H	34.1	Very low	38.5	Very low	157 Å²	157	113 Å²	113	73%	0.727	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-79.2	-25.4	-175.1	-93.6	-82.8	0	0	0	114.6	A286	H284-A286 VanDerWaalsContact C-N 3.28Å; H284-A286 PolarHBondContact O-N 3.25Å
285	Y	31.1	Very low	37.1	Very low	195 Å²	195	111.2 Å²	111.2	77%	0.765	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-91.5	26.2	-179.1	-67.5	-80.3	0	0	0	113.8	K359	Y285-K359 WeakPolarHBondContact O-CE 3.49Å; Y285-K359 PolarHBondContact O-NZ 3.03Å
286	A	35.2	Very low	36	Very low	54 Å²	54	112.7 Å²	112.7	45%	0.446	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-119.8	-7.8	-170.8	0	0	0	0	0	115.5	H284	H284-A286 VanDerWaalsContact C-N 3.28Å; H284-A286 PolarHBondContact O-N 3.25Å
287	L	33.7	Very low	35	Very low	166 Å²	166	115.1 Å²	115.1	87%	0.869	65%	0.654	S	S	*	*	S	Bend	trans	-123.6	17.9	-168.6	-149.2	74.9	0	0	0	115.3
288	E	28.4	Very low	34.2	Very low	167 Å²	167	115 Å²	115	78%	0.78	66%	0.661	S	S	*	*			trans	-110.7	115.5	166.2	-70	179.5	128.8	0	0	109
289	N	30.5	Very low	33.6	Very low	128 Å²	128	117 Å²	117	68%	0.684	67%	0.671	S	S	*	*			trans	151.4	99.6	150.3	-82	3.1	0	0	0	112.8
290	H	32.2	Very low	33.1	Very low	158 Å²	158	120.5 Å²	120.5	73%	0.731	69%	0.689	S	S	*	*			trans	73.9	140.2	149.9	-41.3	-47	0	0	0	119.5
291	T	29.7	Very low	32.4	Very low	126 Å²	126	125.6 Å²	125.6	77%	0.773	71%	0.71	S	S	*	*			cis	-158.3	161.3	-10.4	9.8	0	0	0	0	113
292	S	28.4	Very low	32	Very low	117 Å²	117	123.8 Å²	123.8	82%	0.818	71%	0.713	S	S	*	*			trans	-41.4	155	170.8	50.6	0	0	0	0	121.7
293	G	32.1	Very low	31.4	Very low	74 Å²	74	125.4 Å²	125.4	76%	0.763	72%	0.717	S	S	*	*			trans	116.8	105.4	161.4	0	0	0	0	0	113.3
294	A	30	Very low	31	Very low	109 Å²	109	127.5 Å²	127.5	90%	0.901	73%	0.727	S	S	*	*			cis	83.6	110.7	35.6	0	0	0	0	0	113.9
295	G	32.5	Very low	30.6	Very low	75 Å²	75	125.3 Å²	125.3	77%	0.773	73%	0.73	S	S	*	*			trans	159.6	35.3	-175.4	0	0	0	0	0	119.8
296	D	32.3	Very low	30.9	Very low	85 Å²	85	121.2 Å²	121.2	46%	0.455	73%	0.727	S	S	.	*			trans	31.3	119.4	139.3	-78.8	47.6	0	0	0	124.3	T237	T237-D296 WeakPolarHBondContact CB-OD2 3.21Å; T237-D296 PolarHBondContact OG1-OD2 3.34Å
297	F	31.4	Very low	30.4	Very low	116 Å²	116	127.8 Å²	127.8	51%	0.509	75%	0.746	S	S	.	*			trans	63.3	153.6	151.3	-64.2	-80	0	0	0	120.2	T237 S238	T237-F297 HydrophobicContact CG2-CD2 3.79Å; T237-F297 HydrophobicContact CG2-CE2 3.73Å; T237-F297 HydrophobicContact CG2-CZ 4.32Å; S238-F297 WeakPolarHBondContact O-CZ 3.34Å
298	N	33.3	Very low	30.1	Very low	146 Å²	146	127.6 Å²	127.6	78%	0.781	74%	0.741	S	S	*	*			cis	-142.6	168.2	11.9	-134.9	-26.4	0	0	0	112.9
299	S	26.5	Very low	29.8	Very low	101 Å²	101	129.4 Å²	129.4	71%	0.706	74%	0.742	S	S	*	*			trans	-108.1	152.5	-169.2	56.9	0	0	0	0	115.7
300	I	32.5	Very low	29.5	Very low	157 Å²	157	127.7 Å²	127.7	81%	0.805	74%	0.74	S	S	*	*			trans	-152.7	140.6	156.8	-110.2	159.8	0	0	0	112.2
301	D	31	Very low	29.1	Very low	145 Å²	145	130.6 Å²	130.6	78%	0.775	74%	0.744	S	S	*	*			trans	52.4	150.9	161.2	-62.9	-22.9	0	0	0	125.2
302	L	27.4	Very low	29	Very low	150 Å²	150	132.7 Å²	132.7	79%	0.785	74%	0.743	S	S	*	*			trans	-71.7	159.6	170.7	-68.4	61.3	0	0	0	108.6
303	D	28.2	Very low	28.9	Very low	143 Å²	143	135.7 Å²	135.7	77%	0.765	74%	0.741	S	S	*	*			cis	-169.5	173.2	46.9	-147.9	-22.2	0	0	0	113.2
304	T	31.3	Very low	28.6	Very low	108 Å²	108	138.5 Å²	138.5	66%	0.663	74%	0.743	S	S	*	*			trans	67.8	77.3	156.7	-42.5	0	0	0	0	121.3
305	S	23.9	Very low	28.4	Very low	111 Å²	111	139 Å²	139	78%	0.776	74%	0.735	S	S	*	*			trans	75.1	161.6	135.4	83.6	0	0	0	0	121.3
306	P	39.5	Very low	28.1	Very low	110 Å²	110	140.3 Å²	140.3	71%	0.714	74%	0.738	S	S	*	*			trans	-128	159.9	-150.8	42.3	-29.5	0	0	0	118
307	F	24.2	Very low	27.9	Very low	192 Å²	192	146.7 Å²	146.7	84%	0.842	76%	0.756	S	S	*	*			trans	-177.2	163.4	130.8	-111.7	-72.6	0	0	0	113.8
308	Q	26	Very low	27.7	Very low	162 Å²	162	152.3 Å²	152.3	76%	0.757	77%	0.774	S	S	*	*			trans	78.7	112.2	161.7	-63.2	-147.3	17.7	0	0	123
309	Y	22.7	Very low	27.5	Very low	204 Å²	204	152.2 Å²	152.2	80%	0.8	77%	0.772	S	S	*	*				65.1	133.5	125.7	-84.7	-68.6	0	0	0	126.1
310	S	24.5	Very low	27.6	Very low	92 Å²	92	149.3 Å²	149.3	64%	0.643	75%	0.754	S	S	*	*			trans	91.7	123	131.6	-76.3	0	0	0	0	122.8
311	R	24.3	Very low	27.7	Very low	219 Å²	219	144.9 Å²	144.9	83%	0.826	74%	0.735	S	S	*	*				15.1	139.5	119.6	-66.9	175.7	173.2	-176.9	-0.4	115.9
312	K	26.7	Very low	27.7	Very low	171 Å²	171	145.5 Å²	145.5	74%	0.743	73%	0.733	S	S	*	*			cis	-165.2	-178.8	21.3	-124.5	171.8	174.7	-176.8	0	105.8
313	K	26.9	Very low	28	Very low	180 Å²	180	143.1 Å²	143.1	78%	0.783	73%	0.729	S	S	*	*			cis	-168.3	174.2	27.5	-146.6	172.1	178.8	-172.8	0	109.1
314	V	24.7	Very low	28.2	Very low	133 Å²	133	142.9 Å²	142.9	81%	0.806	73%	0.727	S	S	*	*			trans	-58.9	142.1	161	171.1	0	0	0	0	110.8	A316	V314-A316 PolarHBondContact O-N 2.9Å
315	T	26.7	Very low	28.3	Very low	120 Å²	120	145.4 Å²	145.4	74%	0.736	73%	0.731	S	S	*	*			trans	-65.1	112.8	176.8	-54.6	0	0	0	0	112.1	R317	T315-R317 HydrophobicContact CG2-CB 4.28Å; T315-R317 HydrophobicContact CG2-CG 4.47Å
316	A	26.5	Very low	28.7	Very low	101 Å²	101	145.8 Å²	145.8	84%	0.835	73%	0.73	S	S	*	*			trans	-122.3	92.7	161.6	0	0	0	0	0	108.2	V314	V314-A316 PolarHBondContact O-N 2.9Å
317	R	27.7	Very low	28.5	Very low	219 Å²	219	146.2 Å²	146.2	83%	0.826	73%	0.73	S	S	*	*			trans	-96.7	105.4	-176.1	-118.3	-174.3	177.4	-173.7	-0.7	110.6	T315	T315-R317 HydrophobicContact CG2-CB 4.28Å; T315-R317 HydrophobicContact CG2-CG 4.47Å
318	R	26.9	Very low	28.7	Very low	234 Å²	234	143.8 Å²	143.8	88%	0.883	73%	0.725	S	S	*	*			trans	-155.1	97.4	148.2	-112.8	176.5	176.3	174.7	-0.6	106.9
319	I	29	Very low	28.9	Very low	145 Å²	145	143.3 Å²	143.3	74%	0.744	73%	0.728	S	S	*	*				70.7	108.3	73	-62.2	161.3	0	0	0	111.1
320	A	29.8	Very low	29.1	Very low	39 Å²	39	138.6 Å²	138.6	32%	0.322	73%	0.725	S	S	.	*			trans	176.8	129.1	150.5	0	0	0	0	0	106.9	K339 P340	A320-K339 CarbonylContact C-O 3.59Å; A320-K339 VanDerWaalsContact C-O 3.29Å; A320-K339 CarbonylContact O-C 3.24Å; A320-P340 HydrophobicContact CB-CB 3.67Å
321	T	33	Very low	29.2	Very low	65 Å²	65	140.4 Å²	140.4	40%	0.399	73%	0.733	S	S	.	*			cis	-160	169.5	-0.3	-15.9	0	0	0	0	109.2	I338 K339	T321-I338 WeakPolarHBondContact O-CG2 3.01Å; T321-K339 PolarHBondContact N-O 3.41Å; T321-K339 VanDerWaalsContact N-O 3.12Å; T321-K339 PolarHBondContact OG1-O 3.21Å
322	E	32.9	Very low	29.5	Very low	157 Å²	157	138.5 Å²	138.5	73%	0.734	73%	0.733	S	S	*	*			trans	57	138.2	150.5	-73.7	154.4	-162.2	0	0	120.3
323	S	31.9	Very low	29.4	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	74%	0.735	S	S	*	*			cis	-160.6	168.5	-4.2	77.7	0	0	0	0	108.2
324	N	33.1	Very low	29.3	Very low	137 Å²	137	132.1 Å²	132.1	73%	0.733	73%	0.732	S	S	*	*			cis	-159.4	174.9	-1.9	-134.9	-21.3	0	0	0	109.8
325	Q	34	Very low	29.4	Very low	161 Å²	161	132.5 Å²	132.5	75%	0.752	73%	0.729	S	S	*	*			trans	64.8	101.1	154.8	-77.2	177	-5.6	0	0	121.4
326	T	32.7	Very low	29.5	Very low	120 Å²	120	133.7 Å²	133.7	74%	0.736	73%	0.731	S	S	*	*				62.1	125.2	122.8	50.9	0	0	0	0	124
327	V	33.9	Very low	29.4	Very low	118 Å²	118	135.8 Å²	135.8	72%	0.715	73%	0.728	S	S	*	*			trans	78.8	97.9	135.4	177.4	0	0	0	0	118.3
328	D	29.2	Very low	29.3	Very low	141 Å²	141	132 Å²	132	75%	0.754	72%	0.723	S	S	*	*			trans	62.5	146.7	131.1	-49.9	-20.9	0	0	0	122.8
329	D	30.3	Very low	29.3	Very low	153 Å²	153	128.1 Å²	128.1	82%	0.818	71%	0.713	S	S	*	*			trans	52.8	85.4	166	-68.2	-15.6	0	0	0	121.1
330	S	25.5	Very low	29.6	Very low	104 Å²	104	125.5 Å²	125.5	73%	0.727	71%	0.705	S	S	*	*				88.8	140.3	128.9	82.1	0	0	0	0	120.7
331	T	28.3	Very low	29.5	Very low	131 Å²	131	128.5 Å²	128.5	80%	0.804	72%	0.721	S	S	*	*			trans	72.4	140.1	167.7	66.2	0	0	0	0	120.1
332	Q	29.9	Very low	29.1	Very low	179 Å²	179	133.3 Å²	133.3	84%	0.836	74%	0.743	S	S	*	*			trans	65.2	89.2	159.2	-65	-176.6	-0.5	0	0	121.8
333	S	24.2	Very low	28.7	Very low	112 Å²	112	132 Å²	132	78%	0.783	75%	0.746	S	S	*	*				60.7	139.4	125	65.8	0	0	0	0	124.6
334	S	26	Very low	28.4	Very low	104 Å²	104	134 Å²	134	73%	0.727	75%	0.754	S	S	*	*			trans	103.1	119.7	140.4	-152.9	0	0	0	0	121.2
335	L	26.3	Very low	28	Very low	141 Å²	141	134.4 Å²	134.4	74%	0.738	76%	0.756	S	S	*	*			trans	37.1	123.6	149.5	-86.9	66.4	0	0	0	122.7
336	N	28	Very low	27.5	Very low	145 Å²	145	135.1 Å²	135.1	78%	0.775	76%	0.763	S	S	*	*				176.5	-175.5	101.2	-94.1	-55.2	0	0	0	115.3
337	N	24.5	Very low	27	Very low	146 Å²	146	135.5 Å²	135.5	78%	0.781	77%	0.765	S	S	*	*			trans	-117.8	160.9	-168.1	-55	-87	0	0	0	114
338	I	26.8	Very low	26.6	Very low	138 Å²	138	136.2 Å²	136.2	71%	0.708	77%	0.774	S	S	*	*			trans	-153.3	-129.3	143	-106.9	164.8	0	0	0	114.7	T321	T321-I338 WeakPolarHBondContact O-CG2 3.01Å
339	K	26	Very low	26.2	Very low	154 Å²	154	141 Å²	141	67%	0.67	78%	0.784	S	S	*	*			trans	-150	147.1	-143.6	-172.4	-179	176.4	-175	0	118.4	A320 T321	A320-K339 CarbonylContact C-O 3.59Å; A320-K339 VanDerWaalsContact C-O 3.29Å; A320-K339 CarbonylContact O-C 3.24Å; T321-K339 PolarHBondContact N-O 3.41Å; T321-K339 VanDerWaalsContact N-O 3.12Å; T321-K339 PolarHBondContact OG1-O 3.21Å
340	P	34.5	Very low	26.1	Very low	89 Å²	89	141.4 Å²	141.4	58%	0.578	79%	0.786	S	S	*	*			trans	-110	168.7	178.6	42.4	-38.4	0	0	0	117.4	A320	A320-P340 HydrophobicContact CB-CB 3.67Å
341	P	28.7	Very low	26.1	Very low	102 Å²	102	143.6 Å²	143.6	66%	0.662	79%	0.785	S	S	*	*			trans	-145.2	149.4	161.4	38.8	-21.3	0	0	0	119.6
342	L	25.4	Very low	25.9	Very low	166 Å²	166	145.8 Å²	145.8	87%	0.869	78%	0.783	S	S	*	*			trans	51.8	173.3	146.3	-82.9	61.5	0	0	0	123.1
343	V	23.6	Very low	25.7	Very low	131 Å²	131	142.5 Å²	142.5	79%	0.794	78%	0.78	S	S	*	*				175.6	130.7	-66.9	149.2	0	0	0	0	111.6
344	T	25.9	Very low	25.8	Very low	141 Å²	141	145.8 Å²	145.8	87%	0.865	78%	0.783	S	S	*	*			trans	-161.4	160.2	151.1	-33.1	0	0	0	0	112
345	N	24.2	Very low	25.8	Very low	147 Å²	147	146.7 Å²	146.7	79%	0.786	78%	0.784	S	S	*	*			trans	-119.1	164	178.6	-84.6	-23.8	0	0	0	113.4
346	I	23.8	Very low	25.8	Very low	175 Å²	175	147.1 Å²	147.1	90%	0.897	79%	0.787	S	S	*	*			trans	-171.9	162.2	138.1	-98.5	155.2	0	0	0	110.9
347	T	22.3	Very low	25.6	Very low	128 Å²	128	144.7 Å²	144.7	79%	0.785	78%	0.781	S	S	*	*			trans	-111.7	155.5	-164.9	51.6	0	0	0	0	115.7
348	C	24.7	Very low	25.9	Very low	134 Å²	134	143.6 Å²	143.6	91%	0.905	79%	0.785	S	S	*	*			trans	-166.6	167.6	146.1	-99.4	0	0	0	0	112.7
349	Y	22.3	Very low	25.8	Very low	242 Å²	242	144 Å²	144	95%	0.949	78%	0.782	S	S	*	*			trans	-105.2	151.2	176.7	-80.2	-102.7	0	0	0	112
350	D	27	Very low	25.9	Very low	161 Å²	161	144.7 Å²	144.7	86%	0.861	79%	0.792	S	S	*	*			trans	-161.2	172.6	136	-152.4	-9.5	0	0	0	110.6
351	E	25.2	Very low	25.7	Very low	150 Å²	150	146.1 Å²	146.1	70%	0.701	80%	0.801	S	S	*	*			trans	-93	167.1	-179.4	-61.3	-168.8	138.5	0	0	115.5
352	K	25.5	Very low	25.7	Very low	176 Å²	176	147.3 Å²	147.3	77%	0.765	81%	0.806	S	S	*	*			trans	96.2	145.6	156.2	-61	159.7	-172.6	161.8	0	118.2
353	S	25	Very low	26	Very low	111 Å²	111	145.9 Å²	145.9	78%	0.776	80%	0.804	S	S	*	*			trans	58.1	152	171	65.7	0	0	0	0	117.1
354	E	26.7	Very low	26.6	Very low	181 Å²	181	145.9 Å²	145.9	85%	0.846	80%	0.795	S	S	*	*			cis	-150.5	174	-17.4	-122.5	172.8	153.1	0	0	111.1
355	T	25.4	Very low	27.3	Very low	123 Å²	123	141.6 Å²	141.6	76%	0.755	77%	0.77	S	S	*	*			trans	-36.3	132.2	168.2	-50.7	0	0	0	0	115.7
356	D	26.6	Very low	28.6	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	76%	0.758	S	S	*	*				-165.8	-174.1	114.1	-147	-8.9	0	0	0	114.2
357	S	24.2	Very low	30.1	Very low	93 Å²	93	135.4 Å²	135.4	65%	0.65	75%	0.751	S	S	*	*			trans	-135	134.8	-143.2	-41.2	0	0	0	0	112.6
358	S	29.8	Very low	31.9	Very low	123 Å²	123	132.8 Å²	132.8	86%	0.86	73%	0.731	S	S	*	*			trans	-149.8	139.3	160.4	57.7	0	0	0	0	113.1
359	K	26	Very low	33.3	Very low	147 Å²	147	130.7 Å²	130.7	64%	0.639	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-80.1	143.5	-172.9	-65.5	-178.4	170.6	83.3	0	112.3	Y285	Y285-K359 WeakPolarHBondContact O-CE 3.49Å; Y285-K359 PolarHBondContact O-NZ 3.03Å
360	L	27.8	Very low	35.1	Very low	168 Å²	168	123.7 Å²	123.7	88%	0.88	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-94.2	140.7	154.8	-77.3	169.7	0	0	0	110.1
361	P	30.5	Very low	37.1	Very low	119 Å²	119	121.4 Å²	121.4	77%	0.773	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-81.5	154.8	-171.5	31.9	-35.9	0	0	0	114.4
362	V	27.4	Very low	38.9	Very low	128 Å²	128	115 Å²	115	78%	0.776	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-75.5	132	-171.7	175.2	0	0	0	0	113.3
363	V	32	Very low	40.5	Very low	135 Å²	135	109 Å²	109	82%	0.818	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-85.3	120.9	155.6	177.4	0	0	0	0	107.9	P365	V363-P365 WeakPolarHBondContact O-CD 3.25Å
364	Q	36.6	Very low	42.4	Very low	131 Å²	131	106.8 Å²	106.8	61%	0.612	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-66.5	124.7	178.7	-76	-161.9	12.5	0	0	110.9	T366	Q364-T366 PolarHBondContact O-N 2.96Å
365	P	40.9	Very low	44.2	Very low	51 Å²	51	100.6 Å²	100.6	33%	0.331	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-66.9	127.7	167.9	27	-32.2	0	0	0	109.5	V363 N369 R370	V363-P365 WeakPolarHBondContact O-CD 3.25Å; P365-N369 HydrophobicContact CB-CB 3.58Å; P365-R370 HydrophobicContact CB-CB 4.46Å; P365-R370 HydrophobicContact CG-CB 4.46Å; P365-R370 PolarHBondContact O-NH2 3.47Å; P365-R370 VanDerWaalsContact O-NH2 3.14Å
366	T	50.8	Low	46	Very low	86 Å²	86	98.1 Å²	98.1	53%	0.528	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-54.2	162.9	166.9	56.2	0	0	0	0	110.4	Q364 L368 N369 R370	Q364-T366 PolarHBondContact O-N 2.96Å; T366-L368 PolarHBondContact O-N 3.43Å; T366-N369 PolarHBondContact O-N 3.03Å; T366-R370 WeakPolarHBondContact O-CB 3.36Å; T366-R370 PolarHBondContact O-N 2.84Å
367	S	54.9	Low	47.5	Very low	107 Å²	107	93 Å²	93	75%	0.748	53%	0.533	S	S	*	.	H	α-helix	trans	-52.3	-34.2	-178.9	50	0	0	0	0	113.4	F371	S367-F371 VanDerWaalsContact O-CB 3.28Å; S367-F371 WeakPolarHBondContact O-CB 3.48Å; S367-F371 PolarHBondContact O-N 2.89Å
368	L	60.8	Low	48.6	Very low	73 Å²	73	92.8 Å²	92.8	38%	0.382	52%	0.522	S	S	.	.	H	α-helix	trans	-70.5	-46.8	175.6	-173.4	59.3	0	0	0	112.9	T366 R370 F371 I372 I411	T366-L368 PolarHBondContact O-N 3.43Å; L368-R370 VanDerWaalsContact C-N 3.27Å; L368-R370 PolarHBondContact O-N 2.88Å; L368-F371 WeakPolarHBondContact O-CB 3.31Å; L368-F371 PolarHBondContact O-N 3.28Å; L368-I372 HydrophobicContact CG-CD1 4.3Å; L368-I372 WeakPolarHBondContact O-CG1 3.31Å; L368-I372 PolarHBondContact O-N 2.84Å; L368-I411 HydrophobicContact CD1-CD1 4.09Å; L368-I411 HydrophobicContact CD2-CD1 3.9Å; L368-I411 HydrophobicContact CD2-CG1 4.4Å; L368-I411 HydrophobicContact CD2-CG2 4.46Å; L368-I411 HydrophobicContact CG-CD1 4.25Å
369	N	54.8	Low	49.6	Very low	89 Å²	89	88.7 Å²	88.7	48%	0.476	49%	0.493	S	S	.	.	H	α-helix	trans	-66	-32.7	175.4	-72.6	8.7	0	0	0	111.5	P365 T366 A373	P365-N369 HydrophobicContact CB-CB 3.58Å; T366-N369 PolarHBondContact O-N 3.03Å; N369-A373 VanDerWaalsContact O-CB 3.26Å; N369-A373 WeakPolarHBondContact O-CB 3.24Å; N369-A373 PolarHBondContact O-N 3.4Å
370	R	59.4	Low	50.4	Low	96 Å²	96	86.7 Å²	86.7	36%	0.362	49%	0.489	S	S	.	.	H	α-helix	trans	-72.3	-32.9	174.3	-158.3	177.8	-53.7	-155.6	2.7	112.1	P365 T366 L368 N374	P365-R370 HydrophobicContact CB-CB 4.46Å; P365-R370 HydrophobicContact CG-CB 4.46Å; P365-R370 PolarHBondContact O-NH2 3.47Å; P365-R370 VanDerWaalsContact O-NH2 3.14Å; T366-R370 WeakPolarHBondContact O-CB 3.36Å; T366-R370 PolarHBondContact O-N 2.84Å; L368-R370 VanDerWaalsContact C-N 3.27Å; L368-R370 PolarHBondContact O-N 2.88Å; R370-N374 VanDerWaalsContact O-CB 3.25Å; R370-N374 WeakPolarHBondContact O-CB 3.29Å; R370-N374 PolarHBondContact O-N 2.83Å; R370-N374 PolarHBondContact O-OD1 3.18Å
371	F	68.6	Low	51.5	Low	112 Å²	112	83.1 Å²	83.1	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-67.9	-44.3	171.3	176.2	-105.8	0	0	0	111.6	S367 L368 N374 L375	S367-F371 VanDerWaalsContact O-CB 3.28Å; S367-F371 WeakPolarHBondContact O-CB 3.48Å; S367-F371 PolarHBondContact O-N 2.89Å; L368-F371 WeakPolarHBondContact O-CB 3.31Å; L368-F371 PolarHBondContact O-N 3.28Å; F371-N374 PolarHBondContact O-N 3.44Å; F371-L375 HydrophobicContact CD1-CD1 4.09Å; F371-L375 HydrophobicContact CE1-CD1 3.64Å; F371-L375 HydrophobicContact CE1-CG 4.48Å; F371-L375 HydrophobicContact CZ-CD1 3.91Å; F371-L375 HydrophobicContact CZ-CG 4.41Å; F371-L375 WeakPolarHBondContact O-CG 3.13Å; F371-L375 PolarHBondContact O-N 3.14Å
372	I	64.2	Low	52.1	Low	16 Å²	16	83.7 Å²	83.7	8%	0.082	46%	0.461	C	S	.	.	H	α-helix	trans	-62	-49.5	174.7	-69.7	167.2	0	0	0	110.6	L368 N374 L375 E376 V404 I411	L368-I372 HydrophobicContact CG-CD1 4.3Å; L368-I372 WeakPolarHBondContact O-CG1 3.31Å; L368-I372 PolarHBondContact O-N 2.84Å; I372-N374 VanDerWaalsContact C-N 3.29Å; I372-N374 PolarHBondContact O-N 3.04Å; I372-L375 WeakPolarHBondContact O-CB 3.48Å; I372-L375 PolarHBondContact O-N 2.92Å; I372-L375 VanDerWaalsContact O-N 3.08Å; I372-E376 WeakPolarHBondContact CG2-OE1 3.33Å; I372-E376 WeakPolarHBondContact O-CG 3.1Å; I372-E376 PolarHBondContact O-N 3.23Å; I372-V404 HydrophobicContact CG2-CG1 4.1Å; I372-I411 HydrophobicContact CD1-CD1 4.25Å
373	A	59.3	Low	53.1	Low	50 Å²	50	83.6 Å²	83.6	41%	0.413	46%	0.455	S	S	.	.	H	α-helix	trans	-63.5	-30.9	176.1	0	0	0	0	0	113.3	N369 G377	N369-A373 VanDerWaalsContact O-CB 3.26Å; N369-A373 WeakPolarHBondContact O-CB 3.24Å; N369-A373 PolarHBondContact O-N 3.4Å; A373-G377 PolarHBondContact O-N 3.22Å
374	N	62.9	Low	53.6	Low	65 Å²	65	83.6 Å²	83.6	35%	0.348	45%	0.451	S	S	.	.	H	α-helix	trans	-70.7	-37.2	171.7	-77.9	2.8	0	0	0	111.9	R370 F371 I372 G377 H378	R370-N374 VanDerWaalsContact O-CB 3.25Å; R370-N374 WeakPolarHBondContact O-CB 3.29Å; R370-N374 PolarHBondContact O-N 2.83Å; R370-N374 PolarHBondContact O-OD1 3.18Å; F371-N374 PolarHBondContact O-N 3.44Å; I372-N374 VanDerWaalsContact C-N 3.29Å; I372-N374 PolarHBondContact O-N 3.04Å; N374-G377 PolarHBondContact O-N 3.47Å; N374-H378 VanDerWaalsContact O-CB 3.29Å; N374-H378 WeakPolarHBondContact O-CB 3.22Å; N374-H378 PolarHBondContact O-CD2 3.23Å; N374-H378 PolarHBondContact O-N 3.14Å
375	L	66.3	Low	54.1	Low	50 Å²	50	85.4 Å²	85.4	26%	0.262	46%	0.457	S	S	.	.	H	α-helix	trans	-63.4	-44.5	173.7	-71.2	170.7	0	0	0	111.2	F371 I372 H378 S379 V400 V404 I407	F371-L375 HydrophobicContact CD1-CD1 4.09Å; F371-L375 HydrophobicContact CE1-CD1 3.64Å; F371-L375 HydrophobicContact CE1-CG 4.48Å; F371-L375 HydrophobicContact CZ-CD1 3.91Å; F371-L375 HydrophobicContact CZ-CG 4.41Å; F371-L375 WeakPolarHBondContact O-CG 3.13Å; F371-L375 PolarHBondContact O-N 3.14Å; I372-L375 WeakPolarHBondContact O-CB 3.48Å; I372-L375 PolarHBondContact O-N 2.92Å; I372-L375 VanDerWaalsContact O-N 3.08Å; L375-H378 PolarHBondContact O-N 3.36Å; L375-S379 PolarHBondContact O-N 3.1Å; L375-S379 VanDerWaalsContact O-N 3.07Å; L375-V400 HydrophobicContact CB-CG1 4.22Å; L375-V404 HydrophobicContact CB-CG2 3.93Å; L375-V404 HydrophobicContact CD1-CG2 4.02Å; L375-I407 HydrophobicContact CD1-CD1 4.43Å
376	E	63.4	Low	54	Low	72 Å²	72	86.8 Å²	86.8	34%	0.336	46%	0.46	S	S	.	.	H	α-helix	trans	-68.6	-33	176.6	-67.7	163.9	-168.1	0	0	112.5	I372 S379 V404 R408	I372-E376 WeakPolarHBondContact CG2-OE1 3.33Å; I372-E376 WeakPolarHBondContact O-CG 3.1Å; I372-E376 PolarHBondContact O-N 3.23Å; E376-S379 PolarHBondContact O-OG 3.17Å; E376-V404 HydrophobicContact CG-CG1 4.44Å; E376-V404 VanDerWaalsContact OE1-CG1 3.3Å; E376-V404 WeakPolarHBondContact OE1-CG1 3.44Å; E376-R408 IonicContact OE1-CZ 2.66Å; E376-R408 IonicContact OE1-NE 3.79Å; E376-R408 IonicContact OE1-NH2 3.86Å; E376-R408 PolarHBondContact OE1-NH2 3.46Å; E376-R408 IonicContact OE2-NH2 3.65Å
377	G	57.3	Low	53.6	Low	41 Å²	41	85.8 Å²	85.8	42%	0.423	46%	0.456	S	S	.	.	H	α-helix	trans	-72.6	-30.4	171.6	0	0	0	0	0	113.4	A373 N374 L381	A373-G377 PolarHBondContact O-N 3.22Å; N374-G377 PolarHBondContact O-N 3.47Å; G377-L381 PolarHBondContact O-N 3.03Å
378	H	47.8	Very low	53	Low	90 Å²	90	89.7 Å²	89.7	42%	0.417	46%	0.463	S	S	.	.	H	α-helix	trans	-82.7	-25	179.2	-73.9	-43.5	0	0	0	114	N374 L375 N380 L381 F382	N374-H378 VanDerWaalsContact O-CB 3.29Å; N374-H378 WeakPolarHBondContact O-CB 3.22Å; N374-H378 PolarHBondContact O-CD2 3.23Å; N374-H378 PolarHBondContact O-N 3.14Å; L375-H378 PolarHBondContact O-N 3.36Å; H378-N380 VanDerWaalsContact C-N 3.3Å; H378-N380 PolarHBondContact O-N 3.45Å; H378-L381 PolarHBondContact O-N 3.09Å; H378-F382 WeakPolarHBondContact O-CD2 3.23Å; H378-F382 PolarHBondContact O-N 3.08Å
379	S	50.1	Low	52	Low	36 Å²	36	88.5 Å²	88.5	25%	0.252	46%	0.461	S	S	.	.	H	α-helix	trans	-59.7	-42.2	173.1	46.6	0	0	0	0	111.7	L375 E376 F382 L383	L375-S379 PolarHBondContact O-N 3.1Å; L375-S379 VanDerWaalsContact O-N 3.07Å; E376-S379 PolarHBondContact O-OG 3.17Å; S379-F382 PolarHBondContact O-N 2.99Å; S379-L383 PolarHBondContact O-N 3.06Å
380	N	43.5	Very low	51.3	Low	105 Å²	105	85.6 Å²	85.6	56%	0.561	44%	0.444	S	S	*	.	H	α-helix	trans	-73.4	-42.5	-179.5	-59.9	2	0	0	0	111.1	H378 F382 L383 D384	H378-N380 VanDerWaalsContact C-N 3.3Å; H378-N380 PolarHBondContact O-N 3.45Å; N380-F382 PolarHBondContact O-N 3.1Å; N380-L383 WeakPolarHBondContact O-CB 3.29Å; N380-L383 PolarHBondContact O-N 2.96Å; N380-D384 PolarHBondContact O-N 3.37Å; N380-D384 VanDerWaalsContact O-N 3.14Å
381	L	49.7	Very low	50.7	Low	93 Å²	93	86.6 Å²	86.6	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-65.8	-20.1	178.1	-162.4	70.2	0	0	0	113.7	G377 H378	G377-L381 PolarHBondContact O-N 3.03Å; H378-L381 PolarHBondContact O-N 3.09Å
382	F	44.1	Very low	49.1	Very low	131 Å²	131	90.6 Å²	90.6	58%	0.575	47%	0.473	S	S	*	.	H	α-helix	trans	-80.5	-33.1	171.1	-101.6	-88.8	0	0	0	113	H378 S379 N380 M386	H378-F382 WeakPolarHBondContact O-CD2 3.23Å; H378-F382 PolarHBondContact O-N 3.08Å; S379-F382 PolarHBondContact O-N 2.99Å; N380-F382 PolarHBondContact O-N 3.1Å; F382-M386 HydrophobicContact CD1-CE 4.14Å; F382-M386 HydrophobicContact CE1-CE 4.25Å; F382-M386 PolarHBondContact O-N 3.34Å
383	L	47.3	Very low	47.5	Very low	126 Å²	126	95.7 Å²	95.7	66%	0.66	51%	0.505	S	S	*	.	H	α-helix	trans	-64.2	-47.4	172	-99	67.3	0	0	0	111	S379 N380 K385	S379-L383 PolarHBondContact O-N 3.06Å; N380-L383 WeakPolarHBondContact O-CB 3.29Å; N380-L383 PolarHBondContact O-N 2.96Å; L383-K385 PolarHBondContact O-N 3.41Å; L383-K385 VanDerWaalsContact O-N 3.12Å
384	D	43.7	Very low	46.4	Very low	136 Å²	136	95.2 Å²	95.2	73%	0.727	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-6.7	-176.2	-67.5	-25.2	0	0	0	114.7	N380	N380-D384 PolarHBondContact O-N 3.37Å; N380-D384 VanDerWaalsContact O-N 3.14Å
385	K	45.4	Very low	45	Very low	169 Å²	169	97.5 Å²	97.5	74%	0.735	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-8.9	-178.9	-71.2	-163.2	173.6	-169.7	0	115.6	L383	L383-K385 PolarHBondContact O-N 3.41Å; L383-K385 VanDerWaalsContact O-N 3.12Å
386	M	40.5	Very low	43.7	Very low	80 Å²	80	97 Å²	97	39%	0.394	53%	0.528	S	S	.	.	S	Bend	trans	-89.9	106.4	163.2	-73.9	-170.9	170.6	0	0	108.8	F382 Q388	F382-M386 HydrophobicContact CD1-CE 4.14Å; F382-M386 HydrophobicContact CE1-CE 4.25Å; F382-M386 PolarHBondContact O-N 3.34Å; M386-Q388 PolarHBondContact O-N 3.14Å
387	S	42.4	Very low	42.6	Very low	64 Å²	64	96.4 Å²	96.4	45%	0.448	54%	0.542	S	S	.	.			trans	-53	135.4	169.7	47.8	0	0	0	0	109.9	S389 Q390	S387-S389 PolarHBondContact O-N 3.43Å; S387-Q390 PolarHBondContact O-N 3.39Å
388	Q	42.4	Very low	42.1	Very low	189 Å²	189	102.5 Å²	102.5	88%	0.883	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-1.2	-148.5	-143.1	170.8	22.9	0	0	116.2	M386	M386-Q388 PolarHBondContact O-N 3.14Å
389	S	38.3	Very low	42.6	Very low	49 Å²	49	102.1 Å²	102.1	34%	0.343	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.2	-10.7	-174.8	61.5	0	0	0	0	114.4	S387 I391 S1034	S387-S389 PolarHBondContact O-N 3.43Å; S389-I391 VanDerWaalsContact C-N 3.32Å; S389-I391 PolarHBondContact O-N 3.45Å; S389-S1034 WeakPolarHBondContact CB-O 3.29Å; S389-S1034 PolarHBondContact OG-O 2.81Å; S389-S1034 PolarHBondContact OG-OG 3.21Å
390	Q	40.6	Very low	43.1	Very low	27 Å²	27	102.2 Å²	102.2	13%	0.126	56%	0.557	C	S	.	*	S	Bend	trans	-67.3	-29.5	177.8	-68.6	-159.1	38.7	0	0	113.7	S387 K392 F1035 Q1036	S387-Q390 PolarHBondContact O-N 3.39Å; Q390-K392 PolarHBondContact O-N 3.21Å; Q390-F1035 HydrophobicContact CG-CB 3.67Å; Q390-Q1036 WeakPolarHBondContact CA-O 3.3Å; Q390-Q1036 WeakPolarHBondContact CB-O 3.47Å; Q390-Q1036 HydrophobicContact CG-CB 4Å; Q390-Q1036 WeakPolarHBondContact CG-O 3.37Å; Q390-Q1036 PolarHBondContact OE1-O 3.15Å
391	I	46.5	Very low	44	Very low	117 Å²	117	105 Å²	105	60%	0.6	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	74.3	-164.4	-47.3	177	0	0	0	111.8	S389	S389-I391 VanDerWaalsContact C-N 3.32Å; S389-I391 PolarHBondContact O-N 3.45Å
392	K	34.7	Very low	44.7	Very low	197 Å²	197	103 Å²	103	86%	0.857	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.4	0.8	165.8	-124.2	162.4	-171.3	172.8	0	120.7	Q390	Q390-K392 PolarHBondContact O-N 3.21Å
393	T	32	Very low	45.4	Very low	123 Å²	123	102.7 Å²	102.7	76%	0.755	56%	0.556	S	S	*	*	B	Isolated β-bridge	trans	-123.6	37.9	177.3	-27.8	0	0	0	0	113.6	S1039	T393-S1039 PolarHBondContact O-N 3.32Å; T393-S1039 VanDerWaalsContact O-N 3.08Å
394	A	36.2	Very low	46.6	Very low	40 Å²	40	97.1 Å²	97.1	33%	0.331	53%	0.527	S	S	.	.			trans	-138.8	85	177.2	0	0	0	0	0	110.3	G396 S1038	A394-G396 PolarHBondContact O-N 3.5Å; A394-S1038 VanDerWaalsContact CB-C 3.48Å; A394-S1038 WeakPolarHBondContact CB-O 3.26Å
395	S	33.8	Very low	48.1	Very low	112 Å²	112	96.7 Å²	96.7	78%	0.783	52%	0.519	S	S	*	.	S	Bend	trans	-75.1	58.8	170.6	50.7	0	0	0	0	111.1
396	G	38.1	Very low	49.3	Very low	39 Å²	39	95.1 Å²	95.1	40%	0.402	51%	0.508	S	S	.	.	S	Bend	trans	-178.5	36.6	-169.1	0	0	0	0	0	110.5	A394	A394-G396 PolarHBondContact O-N 3.5Å
397	G	41.2	Very low	50.9	Low	61 Å²	61	94 Å²	94	63%	0.629	50%	0.503	S	S	*	.			trans	-54.9	143.8	177.4	0	0	0	0	0	111.1	D399	G397-D399 VanDerWaalsContact C-N 3.25Å; G397-D399 PolarHBondContact O-N 2.97Å
398	F	46.2	Very low	52.3	Low	168 Å²	168	97.2 Å²	97.2	74%	0.737	51%	0.506	S	S	*	.			trans	-69.7	87.1	176.7	-87.5	-121.3	0	0	0	109.3	V400	F398-V400 HydrophobicContact CB-CG2 4.4Å; F398-V400 PolarHBondContact O-N 3.11Å
399	D	58.5	Low	53.7	Low	83 Å²	83	93 Å²	93	44%	0.444	49%	0.486	S	S	.	.			trans	-69.5	79.1	167.6	-176.1	0.2	0	0	0	108.9	G397 E401 S402 R403	G397-D399 VanDerWaalsContact C-N 3.25Å; G397-D399 PolarHBondContact O-N 2.97Å; D399-E401 PolarHBondContact O-N 2.88Å; D399-E401 PolarHBondContact OD1-N 3.32Å; D399-S402 PolarHBondContact OD1-N 2.79Å; D399-S402 WeakPolarHBondContact OD2-CB 3.37Å; D399-S402 PolarHBondContact OD2-OG 2.83Å; D399-R403 WeakPolarHBondContact O-CB 3.45Å; D399-R403 VanDerWaalsContact O-CG 3.24Å; D399-R403 WeakPolarHBondContact O-CG 3.29Å; D399-R403 PolarHBondContact O-N 3.39Å
400	V	59.9	Low	55.2	Low	37 Å²	37	95.6 Å²	95.6	22%	0.224	50%	0.495	C	S	.	.	H	α-helix	trans	-61.3	-30.5	175.5	178.7	0	0	0	0	109.6	L375 F398 R403 V404	L375-V400 HydrophobicContact CB-CG1 4.22Å; F398-V400 HydrophobicContact CB-CG2 4.4Å; F398-V400 PolarHBondContact O-N 3.11Å; V400-R403 PolarHBondContact O-N 2.94Å; V400-V404 HydrophobicContact CG1-CG2 4.09Å; V400-V404 VanDerWaalsContact O-CB 3.23Å; V400-V404 WeakPolarHBondContact O-CB 3.3Å; V400-V404 WeakPolarHBondContact O-CG2 3.24Å; V400-V404 PolarHBondContact O-N 2.76Å
401	E	63.4	Low	56.7	Low	163 Å²	163	97.2 Å²	97.2	76%	0.762	50%	0.504	S	S	*	.	H	α-helix	trans	-71.8	-47.6	-177.5	-166.4	164.9	-158	0	0	112	D399 V404 K405	D399-E401 PolarHBondContact O-N 2.88Å; D399-E401 PolarHBondContact OD1-N 3.32Å; E401-V404 PolarHBondContact O-N 3.06Å; E401-K405 VanDerWaalsContact O-CB 3.29Å; E401-K405 WeakPolarHBondContact O-CB 3.49Å; E401-K405 PolarHBondContact O-N 3.38Å
402	S	62.6	Low	57.5	Low	53 Å²	53	95.6 Å²	95.6	37%	0.371	50%	0.503	S	S	.	.	H	α-helix	trans	-71.8	-27.3	171.5	78.3	0	0	0	0	113.1	D399 R406	D399-S402 PolarHBondContact OD1-N 2.79Å; D399-S402 WeakPolarHBondContact OD2-CB 3.37Å; D399-S402 PolarHBondContact OD2-OG 2.83Å; S402-R406 WeakPolarHBondContact O-CB 3.16Å; S402-R406 PolarHBondContact O-N 2.8Å
403	R	60.4	Low	58	Low	124 Å²	124	89.4 Å²	89.4	47%	0.468	49%	0.489	S	S	.	.	H	α-helix	trans	-67.3	-40.6	169.9	-73.1	179.4	76.3	170.1	5.2	111.8	D399 V400 I407	D399-R403 WeakPolarHBondContact O-CB 3.45Å; D399-R403 VanDerWaalsContact O-CG 3.24Å; D399-R403 WeakPolarHBondContact O-CG 3.29Å; D399-R403 PolarHBondContact O-N 3.39Å; V400-R403 PolarHBondContact O-N 2.94Å; R403-I407 WeakPolarHBondContact O-CB 3.3Å; R403-I407 WeakPolarHBondContact O-CD1 3.48Å; R403-I407 WeakPolarHBondContact O-CG1 3.33Å; R403-I407 PolarHBondContact O-N 2.91Å
404	V	71.6	Confident	58.7	Low	8 Å²	8	92.7 Å²	92.7	5%	0.048	49%	0.493	C	S	.	.	H	α-helix	trans	-68.2	-44.5	173.9	163	0	0	0	0	110.6	I372 L375 E376 V400 E401 R406 I407 R408	I372-V404 HydrophobicContact CG2-CG1 4.1Å; L375-V404 HydrophobicContact CB-CG2 3.93Å; L375-V404 HydrophobicContact CD1-CG2 4.02Å; E376-V404 HydrophobicContact CG-CG1 4.44Å; E376-V404 VanDerWaalsContact OE1-CG1 3.3Å; E376-V404 WeakPolarHBondContact OE1-CG1 3.44Å; V400-V404 HydrophobicContact CG1-CG2 4.09Å; V400-V404 VanDerWaalsContact O-CB 3.23Å; V400-V404 WeakPolarHBondContact O-CB 3.3Å; V400-V404 WeakPolarHBondContact O-CG2 3.24Å; V400-V404 PolarHBondContact O-N 2.76Å; E401-V404 PolarHBondContact O-N 3.06Å; V404-R406 PolarHBondContact O-N 2.92Å; V404-I407 CarbonylContact O-C 3.6Å; V404-I407 WeakPolarHBondContact O-CB 3.24Å; V404-I407 PolarHBondContact O-N 3.21Å; V404-I407 VanDerWaalsContact O-N 3.15Å; V404-R408 HydrophobicContact CG1-CG 4.47Å; V404-R408 WeakPolarHBondContact O-CG 3.42Å; V404-R408 PolarHBondContact O-N 3.31Å
405	K	75	Confident	58.7	Low	127 Å²	127	95.4 Å²	95.4	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-56.3	-50	172.9	-176	-178.6	174.3	-178.2	0	110.9	E401 I407 R408 E409	E401-K405 VanDerWaalsContact O-CB 3.29Å; E401-K405 WeakPolarHBondContact O-CB 3.49Å; E401-K405 PolarHBondContact O-N 3.38Å; K405-I407 VanDerWaalsContact C-N 3.31Å; K405-I407 PolarHBondContact O-N 2.74Å; K405-R408 CarbonylContact O-C 3.3Å; K405-R408 WeakPolarHBondContact O-CB 3.49Å; K405-R408 PolarHBondContact O-N 2.74Å; K405-R408 VanDerWaalsContact O-N 3.15Å; K405-E409 WeakPolarHBondContact CE-OE1 3.44Å; K405-E409 WeakPolarHBondContact O-CB 3.29Å; K405-E409 WeakPolarHBondContact O-CG 3.17Å; K405-E409 PolarHBondContact O-N 3.02Å
406	R	71	Confident	58.9	Low	137 Å²	137	93.6 Å²	93.6	52%	0.517	50%	0.496	S	S	.	.	H	α-helix	trans	-64.2	-32.6	176.3	-171.6	174.8	179.7	-173.3	-0.1	112.5	S402 V404 L410	S402-R406 WeakPolarHBondContact O-CB 3.16Å; S402-R406 PolarHBondContact O-N 2.8Å; V404-R406 PolarHBondContact O-N 2.92Å; R406-L410 HydrophobicContact CG-CD1 4Å; R406-L410 HydrophobicContact CG-CG 4.33Å; R406-L410 VanDerWaalsContact O-CB 3.24Å; R406-L410 WeakPolarHBondContact O-CB 3.23Å; R406-L410 WeakPolarHBondContact O-CD1 3.37Å; R406-L410 WeakPolarHBondContact O-CG 3.4Å; R406-L410 PolarHBondContact O-N 2.83Å
407	I	73.7	Confident	58.7	Low	56 Å²	56	98.3 Å²	98.3	29%	0.287	51%	0.512	S	S	.	.	H	α-helix	trans	-66.6	-46.9	171.5	-76.7	163.4	0	0	0	110.3	L375 R403 V404 K405 E409 L410 I411	L375-I407 HydrophobicContact CD1-CD1 4.43Å; R403-I407 WeakPolarHBondContact O-CB 3.3Å; R403-I407 WeakPolarHBondContact O-CD1 3.48Å; R403-I407 WeakPolarHBondContact O-CG1 3.33Å; R403-I407 PolarHBondContact O-N 2.91Å; V404-I407 CarbonylContact O-C 3.6Å; V404-I407 WeakPolarHBondContact O-CB 3.24Å; V404-I407 PolarHBondContact O-N 3.21Å; V404-I407 VanDerWaalsContact O-N 3.15Å; K405-I407 VanDerWaalsContact C-N 3.31Å; K405-I407 PolarHBondContact O-N 2.74Å; I407-E409 VanDerWaalsContact C-N 3.34Å; I407-E409 PolarHBondContact O-N 3.33Å; I407-L410 PolarHBondContact O-N 3.26Å; I407-I411 HydrophobicContact CG2-CD1 3.57Å; I407-I411 HydrophobicContact CG2-CG1 4.41Å; I407-I411 WeakPolarHBondContact O-CB 3.25Å; I407-I411 VanDerWaalsContact O-CD1 3.29Å; I407-I411 WeakPolarHBondContact O-CD1 3.16Å; I407-I411 WeakPolarHBondContact O-CG1 3.39Å; I407-I411 PolarHBondContact O-N 2.91Å
408	R	72.6	Confident	58.2	Low	132 Å²	132	104.7 Å²	104.7	50%	0.498	53%	0.525	S	S	.	.	H	α-helix	trans	-59.2	-43.6	174.2	-66.4	176.9	-172	-162.3	6.7	111.3	E376 V404 K405 S412	E376-R408 IonicContact OE1-CZ 2.66Å; E376-R408 IonicContact OE1-NE 3.79Å; E376-R408 IonicContact OE1-NH2 3.86Å; E376-R408 PolarHBondContact OE1-NH2 3.46Å; E376-R408 IonicContact OE2-NH2 3.65Å; V404-R408 HydrophobicContact CG1-CG 4.47Å; V404-R408 WeakPolarHBondContact O-CG 3.42Å; V404-R408 PolarHBondContact O-N 3.31Å; K405-R408 CarbonylContact O-C 3.3Å; K405-R408 WeakPolarHBondContact O-CB 3.49Å; K405-R408 PolarHBondContact O-N 2.74Å; K405-R408 VanDerWaalsContact O-N 3.15Å; R408-S412 WeakPolarHBondContact O-CB 3.36Å; R408-S412 PolarHBondContact O-N 2.79Å; R408-S412 PolarHBondContact O-OG 3.3Å
409	E	70.4	Confident	57.4	Low	101 Å²	101	101.6 Å²	101.6	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-45.2	175	-72.8	167.4	176.5	0	0	112.1	K405 I407 S412 A413	K405-E409 WeakPolarHBondContact CE-OE1 3.44Å; K405-E409 WeakPolarHBondContact O-CB 3.29Å; K405-E409 WeakPolarHBondContact O-CG 3.17Å; K405-E409 PolarHBondContact O-N 3.02Å; I407-E409 VanDerWaalsContact C-N 3.34Å; I407-E409 PolarHBondContact O-N 3.33Å; E409-S412 PolarHBondContact O-N 3.15Å; E409-A413 VanDerWaalsContact O-CB 3.25Å; E409-A413 WeakPolarHBondContact O-CB 3.42Å; E409-A413 PolarHBondContact O-N 2.81Å
410	L	71.2	Confident	56.1	Low	103 Å²	103	102.6 Å²	102.6	54%	0.539	54%	0.537	S	S	.	.	H	α-helix	trans	-69.4	-33.8	178.2	-74.7	169.5	0	0	0	113.1	R406 I407 K414	R406-L410 HydrophobicContact CG-CD1 4Å; R406-L410 HydrophobicContact CG-CG 4.33Å; R406-L410 VanDerWaalsContact O-CB 3.24Å; R406-L410 WeakPolarHBondContact O-CB 3.23Å; R406-L410 WeakPolarHBondContact O-CD1 3.37Å; R406-L410 WeakPolarHBondContact O-CG 3.4Å; R406-L410 PolarHBondContact O-N 2.83Å; I407-L410 PolarHBondContact O-N 3.26Å; L410-K414 VanDerWaalsContact O-CB 3.3Å; L410-K414 WeakPolarHBondContact O-CB 3.3Å; L410-K414 PolarHBondContact O-N 3.24Å; L410-K414 VanDerWaalsContact O-N 3.14Å
411	I	71.3	Confident	54.6	Low	60 Å²	60	105.5 Å²	105.5	31%	0.308	55%	0.552	S	S	.	*	H	α-helix	trans	-64.2	-47.1	170.3	-67.9	157.1	0	0	0	109.2	L368 I372 I407 K414 C415	L368-I411 HydrophobicContact CD1-CD1 4.09Å; L368-I411 HydrophobicContact CD2-CD1 3.9Å; L368-I411 HydrophobicContact CD2-CG1 4.4Å; L368-I411 HydrophobicContact CD2-CG2 4.46Å; L368-I411 HydrophobicContact CG-CD1 4.25Å; I372-I411 HydrophobicContact CD1-CD1 4.25Å; I407-I411 HydrophobicContact CG2-CD1 3.57Å; I407-I411 HydrophobicContact CG2-CG1 4.41Å; I407-I411 WeakPolarHBondContact O-CB 3.25Å; I407-I411 VanDerWaalsContact O-CD1 3.29Å; I407-I411 WeakPolarHBondContact O-CD1 3.16Å; I407-I411 WeakPolarHBondContact O-CG1 3.39Å; I407-I411 PolarHBondContact O-N 2.91Å; I411-K414 PolarHBondContact O-N 2.77Å; I411-C415 PolarHBondContact O-N 3.08Å; I411-C415 PolarHBondContact O-SG 3.33Å; I411-C415 VanDerWaalsContact O-SG 3.37Å
412	S	63.7	Low	52.9	Low	83 Å²	83	99.4 Å²	99.4	58%	0.58	53%	0.527	S	S	*	.	H	α-helix	trans	-62.4	-47.1	179.7	-55.9	0	0	0	0	111.9	R408 E409 K414 C415	R408-S412 WeakPolarHBondContact O-CB 3.36Å; R408-S412 PolarHBondContact O-N 2.79Å; R408-S412 PolarHBondContact O-OG 3.3Å; E409-S412 PolarHBondContact O-N 3.15Å; S412-K414 PolarHBondContact O-N 3.32Å; S412-C415 PolarHBondContact O-N 3.27Å
413	A	45	Very low	51.3	Low	68 Å²	68	99.1 Å²	99.1	56%	0.562	53%	0.525	S	S	*	.	H	α-helix	trans	-68.1	-19.7	179.3	0	0	0	0	0	113.7	E409 S416	E409-A413 VanDerWaalsContact O-CB 3.25Å; E409-A413 WeakPolarHBondContact O-CB 3.42Å; E409-A413 PolarHBondContact O-N 2.81Å; A413-S416 PolarHBondContact O-OG 3.09Å
414	K	46.3	Very low	49.7	Very low	191 Å²	191	97.9 Å²	97.9	83%	0.83	53%	0.534	S	S	*	.	H	α-helix	trans	-88.9	-7.9	175.7	-162.7	156.3	-173.9	169.9	0	113.5	L410 I411 S412	L410-K414 VanDerWaalsContact O-CB 3.3Å; L410-K414 WeakPolarHBondContact O-CB 3.3Å; L410-K414 PolarHBondContact O-N 3.24Å; L410-K414 VanDerWaalsContact O-N 3.14Å; I411-K414 PolarHBondContact O-N 2.77Å; S412-K414 PolarHBondContact O-N 3.32Å
415	C	37.6	Very low	47.6	Very low	98 Å²	98	100.2 Å²	100.2	66%	0.662	56%	0.56	S	S	*	*	S	Bend	trans	-96.8	-3.6	178.6	-70.4	0	0	0	0	114.6	I411 S412	I411-C415 PolarHBondContact O-N 3.08Å; I411-C415 PolarHBondContact O-SG 3.33Å; I411-C415 VanDerWaalsContact O-SG 3.37Å; S412-C415 PolarHBondContact O-N 3.27Å
416	S	38.2	Very low	45.4	Very low	74 Å²	74	104.3 Å²	104.3	52%	0.517	57%	0.574	S	S	.	*	S	Bend	trans	-84.9	-17.6	-172.4	60.9	0	0	0	0	116	A413	A413-S416 PolarHBondContact O-OG 3.09Å
417	N	32.6	Very low	43.2	Very low	138 Å²	138	103.2 Å²	103.2	74%	0.738	59%	0.587	S	S	*	*	S	Bend	trans	-109.7	13.3	-162.2	-72.3	19.4	0	0	0	115.7
418	H	31	Very low	41	Very low	195 Å²	195	107.2 Å²	107.2	90%	0.903	61%	0.614	S	S	*	*			trans	-150.8	94.2	164.1	-99.6	-63.3	0	0	0	110.9
419	S	29.7	Very low	38.9	Very low	103 Å²	103	106.3 Å²	106.3	72%	0.72	63%	0.626	S	S	*	*			trans	-133.3	99.9	177.9	59.5	0	0	0	0	112.1
420	S	31.1	Very low	36.7	Very low	104 Å²	104	106.6 Å²	106.6	73%	0.727	64%	0.639	S	S	*	*			trans	-172.8	147.7	167.9	-80.2	0	0	0	0	108.1
421	N	29.2	Very low	34.5	Very low	97 Å²	97	105.8 Å²	105.8	52%	0.519	65%	0.647	S	S	.	*			cis	-155.7	170.3	-11.2	-99.9	-18.3	0	0	0	106.8	N893 S894	N421-N893 PolarHBondContact OD1-ND2 3.37Å; N421-S894 CarbonylContact C-O 3.29Å
422	S	26.6	Very low	32.5	Very low	36 Å²	36	110.3 Å²	110.3	25%	0.252	67%	0.67	S	S	.	*			cis	-161.8	125.4	20.3	37	0	0	0	0	111.2	S894 F895 T896	S422-S894 VanDerWaalsContact C-N 3.34Å; S422-S894 CarbonylContact C-O 3.17Å; S422-S894 PolarHBondContact N-O 3.46Å; S422-S894 CarbonylContact O-C 3.2Å; S422-F895 WeakPolarHBondContact OG-CE2 3.22Å; S422-F895 VanDerWaalsContact OG-CZ 3.29Å; S422-F895 WeakPolarHBondContact OG-CZ 3.02Å; S422-T896 PolarHBondContact O-OG1 3.48Å
423	S	28.3	Very low	30.7	Very low	46 Å²	46	110.6 Å²	110.6	32%	0.322	67%	0.672	S	S	.	*			trans	41.4	161.8	154.7	64.5	0	0	0	0	121.4	N893 S894 F895 T896	S423-N893 WeakPolarHBondContact CA-OD1 3.34Å; S423-N893 PolarHBondContact N-OD1 2.63Å; S423-S894 VanDerWaalsContact N-N 3.18Å; S423-F895 CarbonylContact O-C 3.49Å; S423-F895 WeakPolarHBondContact O-CA 3.32Å; S423-T896 WeakPolarHBondContact O-CB 3.49Å; S423-T896 PolarHBondContact O-N 3.47Å; S423-T896 PolarHBondContact O-OG1 2.97Å
424	C	28.2	Very low	29.7	Very low	98 Å²	98	112.5 Å²	112.5	66%	0.662	68%	0.681	S	S	*	*			cis	-138.7	160.3	0.7	-145.7	0	0	0	0	107.7
425	G	27.8	Very low	28.8	Very low	58 Å²	58	110.2 Å²	110.2	60%	0.598	68%	0.677	S	S	*	*				84	124.4	82.7	0	0	0	0	0	110.6
426	Y	28.3	Very low	28.3	Very low	213 Å²	213	112 Å²	112	84%	0.835	68%	0.684	S	S	*	*			cis	-126.8	156.4	32.3	-70.3	-100.1	0	0	0	114.5
427	S	24.1	Very low	27.7	Very low	114 Å²	114	113.8 Å²	113.8	80%	0.797	70%	0.697	S	S	*	*			trans	-119.2	132.9	153.2	-59.6	0	0	0	0	108.6
428	T	28.6	Very low	27.5	Very low	139 Å²	139	113.7 Å²	113.7	85%	0.853	70%	0.702	S	S	*	*			trans	-142.5	149.3	146.3	22.3	0	0	0	0	108.4
429	P	27.7	Very low	27.2	Very low	114 Å²	114	108.5 Å²	108.5	74%	0.74	69%	0.688	S	S	*	*			trans	-112.9	-166.3	-152.2	42.3	-33.9	0	0	0	114
430	S	25.2	Very low	27.1	Very low	107 Å²	107	114.2 Å²	114.2	75%	0.748	70%	0.695	S	S	*	*			trans	88.7	118.5	158	-57.7	0	0	0	0	117.7
431	A	23.9	Very low	26.9	Very low	86 Å²	86	114.7 Å²	114.7	71%	0.711	70%	0.697	S	S	*	*			trans	-75	136.1	157.8	0	0	0	0	0	110.2	S433	A431-S433 PolarHBondContact O-OG 3.22Å
432	I	28.7	Very low	26.7	Very low	154 Å²	154	115.1 Å²	115.1	79%	0.79	71%	0.707	S	S	*	*			trans	-118.1	106.7	155.1	-58.5	175.9	0	0	0	103.1
433	S	26.7	Very low	26.8	Very low	90 Å²	90	119.7 Å²	119.7	63%	0.629	74%	0.736	S	S	*	*			cis	68.2	68.8	37.7	-44	0	0	0	0	112.1	A431	A431-S433 PolarHBondContact O-OG 3.22Å
434	S	24.5	Very low	26.9	Very low	108 Å²	108	122.2 Å²	122.2	76%	0.755	75%	0.75	S	S	*	*			trans	-145.7	148.5	167.3	55.6	0	0	0	0	111.8
435	I	26.5	Very low	26.8	Very low	142 Å²	142	119.6 Å²	119.6	73%	0.728	73%	0.733	S	S	*	*			cis	-177.1	139	-42.6	-105.2	154	0	0	0	105.5
436	T	28.2	Very low	26.9	Very low	135 Å²	135	121 Å²	121	83%	0.828	72%	0.724	S	S	*	*			trans	-161.2	128.8	157.4	-8.2	0	0	0	0	110.5
437	S	24.8	Very low	26.9	Very low	112 Å²	112	114.7 Å²	114.7	78%	0.783	70%	0.703	S	S	*	*			trans	-143.9	120.1	-177.8	-56.7	0	0	0	0	111.4
438	T	28.5	Very low	27.1	Very low	137 Å²	137	116.8 Å²	116.8	84%	0.84	71%	0.705	S	S	*	*			trans	-159.3	142.6	167.7	38.9	0	0	0	0	108.6
439	S	25.3	Very low	27.1	Very low	86 Å²	86	113.6 Å²	113.6	60%	0.601	69%	0.693	S	S	*	*			cis	-170	161.1	-10.3	47.1	0	0	0	0	112.5
440	Y	27	Very low	27.4	Very low	222 Å²	222	114.6 Å²	114.6	87%	0.871	70%	0.697	S	S	*	*			trans	80.9	146.9	156.6	-64.7	-60.6	0	0	0	123.6
441	C	26.9	Very low	27.7	Very low	115 Å²	115	114.2 Å²	114.2	78%	0.777	69%	0.694	S	S	*	*			trans	74.3	88.1	161	-68.9	0	0	0	0	121.4
442	S	24.5	Very low	28	Very low	105 Å²	105	117 Å²	117	73%	0.734	70%	0.697	S	S	*	*			trans	66.5	132.5	138.3	-57.2	0	0	0	0	119.4
443	P	29.9	Very low	28.1	Very low	132 Å²	132	114.9 Å²	114.9	86%	0.857	70%	0.696	S	S	*	*				-121.5	175.1	74.1	39.2	-35.9	0	0	0	115.5
444	V	28.8	Very low	28.1	Very low	100 Å²	100	116.3 Å²	116.3	61%	0.606	71%	0.706	S	S	*	*			trans	-133.1	104.3	-163	176.7	0	0	0	0	112.7	I456	V444-I456 HydrophobicContact CG1-CG2 3.74Å
445	S	27.8	Very low	28.4	Very low	43 Å²	43	116 Å²	116	30%	0.301	70%	0.701	S	S	.	*			trans	70.3	174.9	144.4	-45.3	0	0	0	0	120.4	I456 V457 S458	S445-I456 WeakPolarHBondContact CB-O 3.49Å; S445-I456 PolarHBondContact OG-O 2.83Å; S445-V457 WeakPolarHBondContact OG-CA 3.44Å; S445-V457 PolarHBondContact OG-N 3.49Å; S445-S458 WeakPolarHBondContact CA-OG 3.48Å; S445-S458 PolarHBondContact N-OG 2.67Å; S445-S458 VanDerWaalsContact N-OG 3.14Å
446	Q	29.4	Very low	28.5	Very low	88 Å²	88	114.1 Å²	114.1	41%	0.411	69%	0.692	S	S	.	*	B	Isolated β-bridge	cis	-85.7	-172.1	-11	-100.5	-90.2	-65.2	0	0	111.5	I456 V457	Q446-I456 HydrophobicContact CG-CG1 4.47Å; Q446-V457 CarbonylContact C-O 3.53Å; Q446-V457 VanDerWaalsContact C-O 3.25Å; Q446-V457 WeakPolarHBondContact CA-O 3.47Å
447	I	27.3	Very low	28.6	Very low	80 Å²	80	112 Å²	112	41%	0.41	68%	0.679	S	S	.	*			cis	80.4	156.1	4.9	-70.5	177.8	0	0	0	120.5	V457	I447-V457 WeakPolarHBondContact CB-O 3.25Å; I447-V457 HydrophobicContact CD1-CB 4.12Å; I447-V457 HydrophobicContact CD1-CG1 4.36Å; I447-V457 VanDerWaalsContact CD1-O 3.24Å; I447-V457 WeakPolarHBondContact CD1-O 3.27Å; I447-V457 WeakPolarHBondContact CG1-O 3.07Å; I447-V457 PolarHBondContact N-O 3.23Å
448	L	28.5	Very low	28.5	Very low	157 Å²	157	109.2 Å²	109.2	82%	0.822	66%	0.659	S	S	*	*			trans	-99.8	118.5	175.5	172.8	72.8	0	0	0	109.4
449	A	30.2	Very low	28.4	Very low	73 Å²	73	108.4 Å²	108.4	60%	0.603	65%	0.654	S	S	*	*			trans	-89.3	156.5	160.5	0	0	0	0	0	109.1
450	T	33.7	Very low	28.6	Very low	134 Å²	134	111.9 Å²	111.9	82%	0.822	66%	0.664	S	S	*	*			cis	-133.1	158.3	9	52.6	0	0	0	0	108.7
451	S	31.1	Very low	28.5	Very low	100 Å²	100	106.2 Å²	106.2	70%	0.699	66%	0.657	S	S	*	*	S	Bend	cis	-161.9	158.3	39.3	48.2	0	0	0	0	110
452	N	30.5	Very low	28.7	Very low	145 Å²	145	106.2 Å²	106.2	78%	0.775	66%	0.658	S	S	*	*	S	Bend	cis	-125.7	162	5.3	-81.4	-55	0	0	0	111.5
453	S	31.1	Very low	28.9	Very low	108 Å²	108	105.1 Å²	105.1	76%	0.755	65%	0.65	S	S	*	*	S	Bend	trans	49.8	70.9	160.3	61.2	0	0	0	0	119
454	S	26.7	Very low	29.1	Very low	121 Å²	121	105.8 Å²	105.8	85%	0.846	65%	0.646	S	S	*	*			trans	67.7	157.8	140.9	-51.2	0	0	0	0	119.9
455	P	30.8	Very low	29.2	Very low	100 Å²	100	106.3 Å²	106.3	65%	0.649	65%	0.652	S	S	*	*			cis	-128.9	164.5	-30.6	37.8	-22.3	0	0	0	113.7	V457	P455-V457 PolarHBondContact O-N 3.27Å
456	I	28.2	Very low	29.2	Very low	103 Å²	103	108.4 Å²	108.4	53%	0.528	67%	0.666	S	S	.	*			trans	42.1	76.4	140.2	-54.9	-179.2	0	0	0	117.9	V444 S445 Q446	V444-I456 HydrophobicContact CG1-CG2 3.74Å; S445-I456 WeakPolarHBondContact CB-O 3.49Å; S445-I456 PolarHBondContact OG-O 2.83Å; Q446-I456 HydrophobicContact CG-CG1 4.47Å
457	V	30	Very low	29.1	Very low	92 Å²	92	109.5 Å²	109.5	56%	0.558	68%	0.679	S	S	*	*			trans	-132.1	154.2	159.4	177.2	0	0	0	0	110.1	S445 Q446 I447 P455	S445-V457 WeakPolarHBondContact OG-CA 3.44Å; S445-V457 PolarHBondContact OG-N 3.49Å; Q446-V457 CarbonylContact C-O 3.53Å; Q446-V457 VanDerWaalsContact C-O 3.25Å; Q446-V457 WeakPolarHBondContact CA-O 3.47Å; I447-V457 WeakPolarHBondContact CB-O 3.25Å; I447-V457 HydrophobicContact CD1-CB 4.12Å; I447-V457 HydrophobicContact CD1-CG1 4.36Å; I447-V457 VanDerWaalsContact CD1-O 3.24Å; I447-V457 WeakPolarHBondContact CD1-O 3.27Å; I447-V457 WeakPolarHBondContact CG1-O 3.07Å; I447-V457 PolarHBondContact N-O 3.23Å; P455-V457 PolarHBondContact O-N 3.27Å
458	S	22.8	Very low	29.2	Very low	53 Å²	53	113.4 Å²	113.4	37%	0.371	70%	0.695	S	S	.	*	B	Isolated β-bridge	trans	-84.2	163.6	178	-59	0	0	0	0	114.7	S445	S445-S458 WeakPolarHBondContact CA-OG 3.48Å; S445-S458 PolarHBondContact N-OG 2.67Å; S445-S458 VanDerWaalsContact N-OG 3.14Å
459	T	25.6	Very low	29.4	Very low	119 Å²	119	111.5 Å²	111.5	73%	0.73	70%	0.695	S	S	*	*			trans	61.8	127.4	163.6	32.9	0	0	0	0	119.9
460	I	29.7	Very low	29.2	Very low	159 Å²	159	114 Å²	114	82%	0.815	70%	0.702	S	S	*	*			trans	-163.3	157.9	145.7	-107.4	153.8	0	0	0	111.7
461	S	26	Very low	29.3	Very low	104 Å²	104	111.2 Å²	111.2	73%	0.727	69%	0.688	S	S	*	*			trans	-45.4	165.8	175.3	-44.6	0	0	0	0	115.7
462	S	29.7	Very low	29.6	Very low	114 Å²	114	108.3 Å²	108.3	80%	0.797	68%	0.675	S	S	*	*			cis	-154.7	175.1	25.2	56.2	0	0	0	0	113.9
463	S	28.6	Very low	29.3	Very low	82 Å²	82	106.9 Å²	106.9	57%	0.573	67%	0.671	S	S	*	*			trans	-105.1	125.3	-175.9	54.9	0	0	0	0	113.8
464	L	34.9	Very low	29.1	Very low	146 Å²	146	106.2 Å²	106.2	76%	0.764	67%	0.666	S	S	*	*			trans	65.2	154.8	175.4	-81.8	67.7	0	0	0	114.9
465	P	30.8	Very low	28.9	Very low	112 Å²	112	109.6 Å²	109.6	73%	0.727	67%	0.666	S	S	*	*			cis	-94.1	169.6	6.6	41.8	-37.6	0	0	0	112.4
466	S	27.3	Very low	28.7	Very low	86 Å²	86	112.9 Å²	112.9	60%	0.601	68%	0.675	S	S	*	*			cis	79.4	155.9	19.5	88	0	0	0	0	117.5
467	V	26.9	Very low	28.6	Very low	111 Å²	111	112.2 Å²	112.2	67%	0.673	68%	0.679	S	S	*	*			trans	68.8	140.8	172.4	-137.5	0	0	0	0	118.5
468	H	30.8	Very low	28.3	Very low	162 Å²	162	113.4 Å²	113.4	75%	0.75	69%	0.687	S	S	*	*			trans	64.3	109.6	175.6	-52	103.1	0	0	0	115.5
469	S	31.2	Very low	28.5	Very low	117 Å²	117	117 Å²	117	82%	0.818	71%	0.706	S	S	*	*			cis	53.5	72.8	19	-52.1	0	0	0	0	112.8
470	T	26.9	Very low	28.6	Very low	125 Å²	125	116.8 Å²	116.8	77%	0.767	70%	0.704	S	S	*	*			trans	-69.2	157.7	162.9	44.2	0	0	0	0	111
471	S	35.1	Very low	28.2	Very low	76 Å²	76	114.3 Å²	114.3	53%	0.531	70%	0.7	S	S	.	*			trans	37.9	106.4	158.7	58.8	0	0	0	0	116.5
472	G	37.4	Very low	28.1	Very low	40 Å²	40	117 Å²	117	41%	0.412	71%	0.706	S	S	.	*				119.2	120.6	60.5	0	0	0	0	0	105.8
473	V	26	Very low	27.8	Very low	115 Å²	115	116.8 Å²	116.8	70%	0.697	70%	0.7	S	S	*	*				57.7	113.8	55.3	-168.5	0	0	0	0	108.8	F975	V473-F975 WeakPolarHBondContact O-CE1 3.42Å
474	S	25	Very low	27.7	Very low	94 Å²	94	118 Å²	118	66%	0.657	71%	0.709	S	S	*	*			cis	-143.5	144.4	28	-132.5	0	0	0	0	115.4
475	F	23.6	Very low	27.4	Very low	192 Å²	192	116 Å²	116	84%	0.842	71%	0.714	S	S	*	*			trans	25.9	134.8	138.4	-69.7	-109.8	0	0	0	121.6
476	M	26.4	Very low	27.5	Very low	168 Å²	168	116.1 Å²	116.1	83%	0.828	72%	0.717	S	S	*	*			trans	68.6	148.8	170.4	-62	-164.7	67.5	0	0	116.5
477	S	26.6	Very low	27.6	Very low	89 Å²	89	118.1 Å²	118.1	62%	0.622	73%	0.725	S	S	*	*			cis	-124.7	135.9	-1.4	-138.9	0	0	0	0	109
478	V	24	Very low	27.7	Very low	118 Å²	118	121 Å²	121	72%	0.715	73%	0.731	S	S	*	*				50.7	148.1	89.7	-161.4	0	0	0	0	114.3
479	V	26.3	Very low	27.6	Very low	129 Å²	129	120.5 Å²	120.5	78%	0.782	73%	0.734	S	S	*	*			trans	85.8	121.1	173.7	-175.8	0	0	0	0	114.1
480	V	27.1	Very low	27.5	Very low	113 Å²	113	121.5 Å²	121.5	69%	0.685	73%	0.729	S	S	*	*			cis	-155.5	157.8	-11.9	76	0	0	0	0	112.2
481	C	22.6	Very low	27.7	Very low	108 Å²	108	121.3 Å²	121.3	73%	0.73	73%	0.727	S	S	*	*			trans	-67.9	130.1	160.5	-58.6	0	0	0	0	108.6	T483	C481-T483 PolarHBondContact O-N 3.29Å; C481-T483 PolarHBondContact O-OG1 3.06Å
482	N	22.9	Very low	27.3	Very low	159 Å²	159	122.2 Å²	122.2	85%	0.85	73%	0.734	S	S	*	*			trans	-79.7	65	-176.2	-145.9	28.3	0	0	0	113	S484	N482-S484 PolarHBondContact O-N 2.8Å
483	T	24	Very low	26.8	Very low	111 Å²	111	127.1 Å²	127.1	68%	0.681	75%	0.749	S	S	*	*			trans	-68.1	114.7	151.4	45.3	0	0	0	0	109.1	C481	C481-T483 PolarHBondContact O-N 3.29Å; C481-T483 PolarHBondContact O-OG1 3.06Å
484	S	26.6	Very low	26.8	Very low	107 Å²	107	124.5 Å²	124.5	75%	0.748	74%	0.736	S	S	*	*	S	Bend	trans	64.6	106.7	147.3	-52.8	0	0	0	0	120	N482	N482-S484 PolarHBondContact O-N 2.8Å
485	A	28.8	Very low	26.9	Very low	105 Å²	105	125.2 Å²	125.2	87%	0.868	73%	0.732	S	S	*	*			trans	72.3	145.5	132.5	0	0	0	0	0	121.8
486	S	31.6	Very low	27.3	Very low	114 Å²	114	119.5 Å²	119.5	80%	0.797	72%	0.715	S	S	*	*			trans	-92.1	169.6	170.6	54.9	0	0	0	0	110.4
487	V	30	Very low	27.2	Very low	127 Å²	127	116 Å²	116	77%	0.77	71%	0.707	S	S	*	*			cis	-156	176.5	-2.3	106.2	0	0	0	0	110.3
488	Q	28.3	Very low	27.2	Very low	172 Å²	172	116.3 Å²	116.3	80%	0.804	71%	0.714	S	S	*	*			trans	-23	120.6	174.6	-61.5	168.7	-28.1	0	0	119.9
489	N	29.9	Very low	27.5	Very low	152 Å²	152	115.7 Å²	115.7	81%	0.813	72%	0.716	S	S	*	*				174.3	148.5	127	-105.7	-10.9	0	0	0	110.3
490	I	28.1	Very low	27.7	Very low	138 Å²	138	114.3 Å²	114.3	71%	0.708	71%	0.711	S	S	*	*			cis	-156.5	152.1	-48.7	-120	176.5	0	0	0	106.8
491	T	31.4	Very low	28.1	Very low	120 Å²	120	114.3 Å²	114.3	74%	0.736	71%	0.712	S	S	*	*			trans	51.6	92.7	172	44.8	0	0	0	0	121.1
492	S	27.9	Very low	28.7	Very low	95 Å²	95	115.4 Å²	115.4	66%	0.664	72%	0.716	S	S	*	*				51.8	141.4	119.4	63.3	0	0	0	0	124.3
493	I	25.9	Very low	29	Very low	143 Å²	143	113 Å²	113	73%	0.733	71%	0.711	S	S	*	*			trans	88.1	96.1	167.4	-51.8	-179.6	0	0	0	115.2
494	S	26.2	Very low	29.3	Very low	60 Å²	60	117.4 Å²	117.4	42%	0.42	72%	0.721	S	S	.	*			trans	31.5	133.2	150.2	63.9	0	0	0	0	120.9	S844	S494-S844 WeakPolarHBondContact CA-OG 3.34Å; S494-S844 WeakPolarHBondContact CB-OG 3.35Å
495	N	27.1	Very low	29.6	Very low	109 Å²	109	120.4 Å²	120.4	58%	0.583	72%	0.723	S	S	*	*				-165.2	-176.8	57.4	-122.7	-22.3	0	0	0	112.2	T845	N495-T845 WeakPolarHBondContact CA-OG1 3.45Å; N495-T845 PolarHBondContact N-OG1 2.73Å; N495-T845 PolarHBondContact O-OG1 3.35Å
496	P	31.6	Very low	29.5	Very low	73 Å²	73	122.6 Å²	122.6	47%	0.474	71%	0.713	S	S	.	*			trans	-108.2	-178.2	-145	19.4	6	0	0	0	113.7
497	S	24.9	Very low	29.4	Very low	94 Å²	94	123.1 Å²	123.1	66%	0.657	72%	0.716	S	S	*	*			cis	-172.5	161.3	-17.3	-93.9	0	0	0	0	108.6
498	A	25.7	Very low	29.4	Very low	95 Å²	95	125.1 Å²	125.1	79%	0.785	72%	0.715	S	S	*	*			trans	72.5	169.1	161.1	0	0	0	0	0	119.9
499	S	30.7	Very low	29.9	Very low	106 Å²	106	122.7 Å²	122.7	74%	0.741	71%	0.714	S	S	*	*			trans	72.5	128.1	-168.4	92.4	0	0	0	0	113.5
500	S	31.5	Very low	29.9	Very low	99 Å²	99	121.6 Å²	121.6	69%	0.692	71%	0.713	S	S	*	*				90.5	143.7	83.6	83.3	0	0	0	0	112.2
501	T	34.9	Very low	30	Very low	114 Å²	114	122.9 Å²	122.9	70%	0.699	72%	0.719	S	S	*	*			cis	-156.9	155	5.1	-18	0	0	0	0	110.9
502	T	34.5	Very low	29.7	Very low	131 Å²	131	121.8 Å²	121.8	80%	0.804	72%	0.717	S	S	*	*			trans	32.7	145.9	148.6	47.6	0	0	0	0	122.7
503	S	28.9	Very low	29.7	Very low	108 Å²	108	122.3 Å²	122.3	76%	0.755	72%	0.72	S	S	*	*			cis	-151.6	118.3	15.8	49.9	0	0	0	0	113.3
504	K	32	Very low	30	Very low	204 Å²	204	121.6 Å²	121.6	89%	0.887	72%	0.722	S	S	*	*			trans	-153.4	139.9	160.2	-68.2	-171.9	-179.6	178.6	0	109.1
505	H	31.7	Very low	30.2	Very low	170 Å²	170	123.7 Å²	123.7	79%	0.787	74%	0.737	S	S	*	*			trans	-166.4	111.7	133.5	-119.4	-95.9	0	0	0	111
506	F	26.6	Very low	30.3	Very low	150 Å²	150	127.3 Å²	127.3	66%	0.658	75%	0.75	S	S	*	*			trans	39.9	119.8	155.1	-70.2	-101.1	0	0	0	120.8	F508	F506-F508 HydrophobicContact CD1-CD2 4.02Å; F506-F508 AromaticContact CD1-CE2 3.59Å; F506-F508 HydrophobicContact CD1-CE2 3.59Å; F506-F508 HydrophobicContact CD1-CZ 4.37Å; F506-F508 AromaticContact CE1-CE2 3.7Å; F506-F508 HydrophobicContact CE1-CE2 3.7Å; F506-F508 HydrophobicContact CE1-CZ 4.22Å
507	S	29.6	Very low	30.2	Very low	125 Å²	125	130.2 Å²	130.2	87%	0.874	77%	0.767	S	S	*	*			trans	-137.6	118.3	149.7	-64.4	0	0	0	0	108.1
508	F	29.6	Very low	30.6	Very low	170 Å²	170	133.5 Å²	133.5	75%	0.746	78%	0.775	S	S	*	*			trans	-107.5	145.9	168.3	-78.4	-66.1	0	0	0	108.7	F506 V510	F506-F508 HydrophobicContact CD1-CD2 4.02Å; F506-F508 AromaticContact CD1-CE2 3.59Å; F506-F508 HydrophobicContact CD1-CE2 3.59Å; F506-F508 HydrophobicContact CD1-CZ 4.37Å; F506-F508 AromaticContact CE1-CE2 3.7Å; F506-F508 HydrophobicContact CE1-CE2 3.7Å; F506-F508 HydrophobicContact CE1-CZ 4.22Å; F508-V510 PolarHBondContact O-N 2.85Å; F508-V510 VanDerWaalsContact O-N 3.16Å
509	P	39.9	Very low	31	Very low	120 Å²	120	133.5 Å²	133.5	78%	0.779	77%	0.769	S	S	*	*			trans	-69.3	111.2	171.5	28.7	-32.3	0	0	0	110.6
510	V	29.9	Very low	31.1	Very low	130 Å²	130	133.9 Å²	133.9	79%	0.788	77%	0.768	S	S	*	*				25.1	119.9	114.8	-179.3	0	0	0	0	113.9	F508	F508-V510 PolarHBondContact O-N 2.85Å; F508-V510 VanDerWaalsContact O-N 3.16Å
511	I	29.2	Very low	31.1	Very low	164 Å²	164	138.3 Å²	138.3	84%	0.841	78%	0.777	S	S	*	*			cis	-129.2	145	33.8	-53.9	166	0	0	0	111.3
512	S	26	Very low	30.8	Very low	97 Å²	97	136.8 Å²	136.8	68%	0.678	78%	0.776	S	S	*	*			trans	-129	135.5	171	60.9	0	0	0	0	113.3
513	S	28	Very low	30.7	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	77%	0.77	S	S	*	*			trans	65.7	149.5	145.2	65.8	0	0	0	0	121.9
514	V	31.2	Very low	30.7	Very low	128 Å²	128	137.6 Å²	137.6	78%	0.776	77%	0.769	S	S	*	*			trans	90.4	93.1	159.3	-164.1	0	0	0	0	118.8
515	S	30.3	Very low	30.7	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	75%	0.748	S	S	*	*			trans	85.4	139.5	135.8	-63.4	0	0	0	0	124.7
516	E	30.4	Very low	30.6	Very low	184 Å²	184	126.6 Å²	126.6	86%	0.86	73%	0.733	S	S	*	*			trans	68.8	87.7	150.1	-69.6	-179.7	134.9	0	0	122
517	V	29.4	Very low	30.7	Very low	135 Å²	135	121.1 Å²	121.1	82%	0.818	71%	0.713	S	S	*	*			trans	-50.9	155.5	133.4	-122.8	0	0	0	0	110.2
518	I	33	Very low	30.6	Very low	162 Å²	162	122.9 Å²	122.9	83%	0.831	71%	0.711	S	S	*	*			cis	-146.8	156.9	40.4	-62	174.9	0	0	0	112.8
519	S	32.8	Very low	30.5	Very low	95 Å²	95	118.9 Å²	118.9	66%	0.664	71%	0.709	S	S	*	*			trans	-56.8	130.4	171.8	167	0	0	0	0	117.5
520	T	33	Very low	29.6	Very low	115 Å²	115	119.6 Å²	119.6	71%	0.706	71%	0.711	S	S	*	*				19.4	135.1	127.5	18.5	0	0	0	0	123.6
521	Q	32.1	Very low	29.6	Very low	191 Å²	191	119.6 Å²	119.6	89%	0.893	71%	0.712	S	S	*	*			trans	78.3	136.6	134.1	-162.7	166.1	76.7	0	0	118.7
522	A	28.9	Very low	29.4	Very low	83 Å²	83	116.6 Å²	116.6	69%	0.686	71%	0.706	S	S	*	*			cis	-137.3	174.7	-5.8	0	0	0	0	0	109.1
523	V	31.1	Very low	29.4	Very low	112 Å²	112	119 Å²	119	68%	0.679	71%	0.709	S	S	*	*				-162.3	116.3	50.4	165.8	0	0	0	0	108.1
524	I	30.7	Very low	29.1	Very low	143 Å²	143	120 Å²	120	73%	0.733	71%	0.71	S	S	*	*				57.1	133.2	109.4	-55.6	169.1	0	0	0	115.9
525	P	31.9	Very low	28.9	Very low	68 Å²	68	118.5 Å²	118.5	44%	0.442	71%	0.706	S	S	.	*			cis	-127.3	-160.7	-22.1	41.1	-22.1	0	0	0	110.3	I1028	P525-I1028 WeakPolarHBondContact O-CB 3.28Å; P525-I1028 WeakPolarHBondContact O-CD1 3.42Å; P525-I1028 WeakPolarHBondContact O-CG1 3.3Å
526	T	28.6	Very low	28.6	Very low	75 Å²	75	120.8 Å²	120.8	46%	0.46	71%	0.709	S	S	.	*			cis	-158.7	171.9	-8.3	-7	0	0	0	0	110	I1028 T1029	T526-I1028 VanDerWaalsContact O-CB 3.23Å; T526-I1028 WeakPolarHBondContact O-CB 3.46Å; T526-I1028 WeakPolarHBondContact O-CG2 3.35Å; T526-T1029 WeakPolarHBondContact CA-OG1 3.14Å; T526-T1029 WeakPolarHBondContact CB-OG1 3.23Å; T526-T1029 PolarHBondContact N-OG1 3.1Å; T526-T1029 VanDerWaalsContact O-CA 3.22Å; T526-T1029 WeakPolarHBondContact O-CA 3.12Å; T526-T1029 PolarHBondContact O-N 3.49Å; T526-T1029 PolarHBondContact O-OG1 3.43Å; T526-T1029 VanDerWaalsContact OG1-CG2 3.29Å; T526-T1029 WeakPolarHBondContact OG1-CG2 3.31Å; T526-T1029 PolarHBondContact OG1-OG1 3.15Å
527	S	29.4	Very low	28.7	Very low	35 Å²	35	117.4 Å²	117.4	25%	0.245	70%	0.703	C	S	.	*			trans	65	120.2	173.2	81.4	0	0	0	0	117.2	I1028 T1029 T1030	S527-I1028 VanDerWaalsContact O-CG2 3.27Å; S527-I1028 WeakPolarHBondContact O-CG2 3.48Å; S527-T1029 VanDerWaalsContact OG-CA 3.31Å; S527-T1029 WeakPolarHBondContact OG-CA 3.25Å; S527-T1030 PolarHBondContact OG-N 3.05Å
528	I	26.9	Very low	28.5	Very low	162 Å²	162	114 Å²	114	83%	0.831	70%	0.695	S	S	*	*			cis	72.8	124.7	42.4	-52.3	161.1	0	0	0	111.7
529	A	27.1	Very low	28.4	Very low	86 Å²	86	111.3 Å²	111.3	71%	0.711	69%	0.691	S	S	*	*			cis	-163.2	165.6	-18.9	0	0	0	0	0	109.1
530	V	20.8	Very low	27.9	Very low	135 Å²	135	113.2 Å²	113.2	82%	0.818	69%	0.692	S	S	*	*			trans	-121.8	129.3	170.2	176.7	0	0	0	0	109.7
531	T	29.9	Very low	27.5	Very low	130 Å²	130	112.6 Å²	112.6	80%	0.798	69%	0.692	S	S	*	*			trans	-132.8	98.6	165.1	45	0	0	0	0	110
532	S	25.2	Very low	27.1	Very low	102 Å²	102	110.7 Å²	110.7	71%	0.713	68%	0.681	S	S	*	*			trans	-74.2	124.3	155.6	43.6	0	0	0	0	108.4
533	I	26.1	Very low	27	Very low	147 Å²	147	109.8 Å²	109.8	75%	0.754	68%	0.68	S	S	*	*			trans	-87.5	111.4	166.7	-64.9	-179.5	0	0	0	107.5	S535	I533-S535 PolarHBondContact O-N 3.26Å
534	V	23.2	Very low	26.8	Very low	127 Å²	127	112.5 Å²	112.5	77%	0.77	68%	0.683	S	S	*	*			trans	-65.4	125.7	167.6	172.8	0	0	0	0	108.3
535	S	25.4	Very low	26.7	Very low	97 Å²	97	111.9 Å²	111.9	68%	0.678	69%	0.686	S	S	*	*			trans	-150.1	62.7	171.3	-73.9	0	0	0	0	111	I533	I533-S535 PolarHBondContact O-N 3.26Å
536	L	25.1	Very low	26.4	Very low	153 Å²	153	112.9 Å²	112.9	80%	0.801	70%	0.695	S	S	*	*			trans	-71.7	136.9	139	-91.5	69.7	0	0	0	106.5
537	P	32.3	Very low	26.4	Very low	112 Å²	112	116.1 Å²	116.1	73%	0.727	72%	0.715	S	S	*	*				-127.1	93.9	109.7	34.4	-28.9	0	0	0	111.3	S539	P537-S539 PolarHBondContact O-N 3.2Å
538	G	25.9	Very low	26.5	Very low	63 Å²	63	118.7 Å²	118.7	65%	0.649	73%	0.733	S	S	*	*			trans	-71.3	76.7	150.4	0	0	0	0	0	108.3	I540	G538-I540 PolarHBondContact O-N 3.23Å
539	S	30	Very low	26.8	Very low	107 Å²	107	117.6 Å²	117.6	75%	0.748	73%	0.729	S	S	*	*			trans	-70.6	96.6	-171.8	56.4	0	0	0	0	111.5	P537	P537-S539 PolarHBondContact O-N 3.2Å
540	I	22.8	Very low	27	Very low	135 Å²	135	120.6 Å²	120.6	69%	0.692	73%	0.731	S	S	*	*			trans	-77.1	118.3	167.6	-54.1	173.7	0	0	0	108.6	G538 F542	G538-I540 PolarHBondContact O-N 3.23Å; I540-F542 HydrophobicContact CB-CE2 4.46Å; I540-F542 HydrophobicContact CB-CZ 4.43Å; I540-F542 HydrophobicContact CG2-CD1 4.24Å; I540-F542 HydrophobicContact CG2-CD2 4.39Å; I540-F542 HydrophobicContact CG2-CE1 3.72Å; I540-F542 HydrophobicContact CG2-CE2 3.89Å; I540-F542 HydrophobicContact CG2-CZ 3.52Å
541	S	24.1	Very low	27.5	Very low	101 Å²	101	118.7 Å²	118.7	71%	0.706	72%	0.724	S	S	*	*			trans	-146.3	115.4	156.7	-166.5	0	0	0	0	106.6
542	F	24.6	Very low	27.5	Very low	151 Å²	151	117.8 Å²	117.8	66%	0.662	72%	0.723	S	S	*	*				57.1	127.1	66.1	-45.5	-48.8	0	0	0	111.4	I540 F544	I540-F542 HydrophobicContact CB-CE2 4.46Å; I540-F542 HydrophobicContact CB-CZ 4.43Å; I540-F542 HydrophobicContact CG2-CD1 4.24Å; I540-F542 HydrophobicContact CG2-CD2 4.39Å; I540-F542 HydrophobicContact CG2-CE1 3.72Å; I540-F542 HydrophobicContact CG2-CE2 3.89Å; I540-F542 HydrophobicContact CG2-CZ 3.52Å; F542-F544 HydrophobicContact CB-CE1 4.47Å; F542-F544 HydrophobicContact CB-CE2 4.14Å; F542-F544 HydrophobicContact CB-CZ 3.81Å
543	G	25.7	Very low	27.8	Very low	65 Å²	65	118 Å²	118	67%	0.67	72%	0.724	S	S	*	*			cis	-164.4	-143.6	-1.7	0	0	0	0	0	108.1
544	F	26.4	Very low	28	Very low	168 Å²	168	115.5 Å²	115.5	74%	0.737	72%	0.72	S	S	*	*			cis	-146.6	-179	-4.9	-75.1	-84	0	0	0	105.7	F542	F542-F544 HydrophobicContact CB-CE1 4.47Å; F542-F544 HydrophobicContact CB-CE2 4.14Å; F542-F544 HydrophobicContact CB-CZ 3.81Å
545	T	28.8	Very low	28.1	Very low	130 Å²	130	116.1 Å²	116.1	80%	0.798	72%	0.716	S	S	*	*				179.8	164.3	61.4	47	0	0	0	0	110
546	S	25.8	Very low	28.2	Very low	90 Å²	90	116.4 Å²	116.4	63%	0.629	72%	0.718	S	S	*	*			cis	-177.8	123.1	-25	-86.6	0	0	0	0	108.7
547	T	29.9	Very low	28.1	Very low	142 Å²	142	114.4 Å²	114.4	87%	0.871	71%	0.712	S	S	*	*			trans	-173.3	137.5	152	34.2	0	0	0	0	107.5
548	S	31.6	Very low	27.9	Very low	90 Å²	90	115.5 Å²	115.5	63%	0.629	72%	0.717	S	S	*	*			cis	-165.2	158.8	-9	42.5	0	0	0	0	109.6
549	N	31.5	Very low	28	Very low	139 Å²	139	117.7 Å²	117.7	74%	0.743	72%	0.722	S	S	*	*			trans	80.6	112.7	172.7	-53.9	-8.2	0	0	0	114.2
550	I	31.6	Very low	27.9	Very low	149 Å²	149	117.1 Å²	117.1	76%	0.764	72%	0.724	S	S	*	*			cis	62.5	130.5	20.9	-24.1	171.5	0	0	0	110.1
551	S	32.7	Very low	28.2	Very low	94 Å²	94	115.3 Å²	115.3	66%	0.657	72%	0.723	S	S	*	*			cis	-154	145.8	32.3	-35.3	0	0	0	0	110.7
552	S	29.6	Very low	28.4	Very low	112 Å²	112	116.3 Å²	116.3	78%	0.783	73%	0.725	S	S	*	*				64.6	149.2	96.5	88.2	0	0	0	0	115.9
553	S	30.3	Very low	28.6	Very low	105 Å²	105	114.7 Å²	114.7	73%	0.734	73%	0.728	S	S	*	*			cis	-163.7	-176.9	27.4	50.9	0	0	0	0	109.4
554	S	30.7	Very low	28.7	Very low	95 Å²	95	119.2 Å²	119.2	66%	0.664	74%	0.736	S	S	*	*			cis	-154.9	142.7	6.5	-10.6	0	0	0	0	108.7
555	M	25.7	Very low	28.9	Very low	140 Å²	140	113.3 Å²	113.3	69%	0.69	72%	0.718	S	S	*	*				66	149.4	91.3	-58.4	-173	71.6	0	0	116.2
556	S	26.6	Very low	28.8	Very low	104 Å²	104	111.7 Å²	111.7	73%	0.727	71%	0.708	S	S	*	*			cis	-129.2	163	9.4	-72.2	0	0	0	0	111.6
557	V	24.7	Very low	29.1	Very low	110 Å²	110	111.1 Å²	111.1	67%	0.667	71%	0.708	S	S	*	*			cis	100.2	94.5	15	-178.9	0	0	0	0	116.2
558	T	28.2	Very low	28.9	Very low	136 Å²	136	108.7 Å²	108.7	83%	0.834	69%	0.693	S	S	*	*			trans	-144.1	122.7	151.8	39.3	0	0	0	0	107.6
559	S	26.6	Very low	28.6	Very low	109 Å²	109	110 Å²	110	76%	0.762	70%	0.698	S	S	*	*				78.7	124.4	53.7	-59.9	0	0	0	0	112.2
560	A	29	Very low	28.4	Very low	95 Å²	95	109.1 Å²	109.1	79%	0.785	70%	0.702	S	S	*	*			cis	-152.5	-159.9	-1.2	0	0	0	0	0	109.1
561	S	28.1	Very low	28	Very low	96 Å²	96	106.9 Å²	106.9	67%	0.671	70%	0.696	S	S	*	*			cis	-167.2	167.1	8.2	-143.5	0	0	0	0	112.3
562	T	28.9	Very low	27.7	Very low	122 Å²	122	107.9 Å²	107.9	75%	0.748	70%	0.703	S	S	*	*			trans	43.3	142	149.4	55.2	0	0	0	0	122.4
563	V	28.5	Very low	27.4	Very low	118 Å²	118	111.6 Å²	111.6	72%	0.715	71%	0.705	S	S	*	*			cis	-161.6	136.4	0.7	118.4	0	0	0	0	107.7
564	L	26.6	Very low	27.1	Very low	160 Å²	160	112.1 Å²	112.1	84%	0.838	71%	0.709	S	S	*	*				46.2	140.6	102.5	-103.4	69.2	0	0	0	116.6
565	A	31	Very low	26.7	Very low	44 Å²	44	118.2 Å²	118.2	36%	0.364	72%	0.723	S	S	.	*			cis	-146.5	-164.3	2.2	0	0	0	0	0	113	P1065	A565-P1065 CarbonylContact C-O 3.05Å; A565-P1065 WeakPolarHBondContact CA-O 3.44Å; A565-P1065 VanDerWaalsContact CB-O 3.32Å; A565-P1065 WeakPolarHBondContact CB-O 3.09Å; A565-P1065 PolarHBondContact N-O 2.71Å
566	T	27.7	Very low	26.6	Very low	95 Å²	95	117.1 Å²	117.1	58%	0.583	73%	0.729	S	S	*	*			trans	-111.4	-171.5	-150.1	-165.1	0	0	0	0	115.3	T1064 P1065	T566-T1064 CarbonylContact O-C 3.42Å; T566-T1064 WeakPolarHBondContact O-CA 3.5Å; T566-T1064 VanDerWaalsContact O-CB 3.29Å; T566-T1064 WeakPolarHBondContact O-CB 3.13Å; T566-P1065 CarbonylContact O-C 3.38Å; T566-P1065 WeakPolarHBondContact O-CA 3.33Å
567	A	31.2	Very low	26.6	Very low	78 Å²	78	118.4 Å²	118.4	65%	0.645	73%	0.733	S	S	*	*			trans	-145.9	128.3	178.5	0	0	0	0	0	114.1
568	V	26.4	Very low	26.8	Very low	92 Å²	92	118.4 Å²	118.4	56%	0.558	75%	0.745	S	S	*	*			trans	-162	156.1	177.1	-116.6	0	0	0	0	108.2	T1064	V568-T1064 HydrophobicContact CG2-CG2 4.39Å
569	T	25.9	Very low	26.7	Very low	118 Å²	118	117 Å²	117	72%	0.724	74%	0.74	S	S	*	*			cis	-140.9	138.3	16.6	50.3	0	0	0	0	114.3
570	S	26.5	Very low	26.7	Very low	119 Å²	119	117.8 Å²	117.8	83%	0.832	74%	0.741	S	S	*	*			trans	-153.9	124.2	136.1	61	0	0	0	0	109.3
571	V	23.7	Very low	26.5	Very low	103 Å²	103	117.7 Å²	117.7	62%	0.624	74%	0.74	S	S	*	*			trans	-125.7	119.1	-179.3	-178.6	0	0	0	0	109.8	F573	V571-F573 HydrophobicContact CG1-CD2 4.25Å; V571-F573 HydrophobicContact CG1-CE1 4.4Å; V571-F573 HydrophobicContact CG1-CE2 3.72Å; V571-F573 HydrophobicContact CG1-CZ 3.81Å
572	S	25.8	Very low	26.3	Very low	115 Å²	115	121.7 Å²	121.7	80%	0.804	75%	0.748	S	S	*	*			trans	-149.7	108.9	166	53.1	0	0	0	0	108.2
573	F	22.9	Very low	26.2	Very low	190 Å²	190	122.7 Å²	122.7	83%	0.833	75%	0.753	S	S	*	*			trans	-71.1	138.3	-174.2	-59.1	-84.4	0	0	0	112	V571	V571-F573 HydrophobicContact CG1-CD2 4.25Å; V571-F573 HydrophobicContact CG1-CE1 4.4Å; V571-F573 HydrophobicContact CG1-CE2 3.72Å; V571-F573 HydrophobicContact CG1-CZ 3.81Å
574	S	23.9	Very low	26	Very low	116 Å²	116	121.2 Å²	121.2	81%	0.811	75%	0.748	S	S	*	*			trans	-151	139.2	154.8	-79.9	0	0	0	0	108.5	S576	S574-S576 PolarHBondContact O-N 3.16Å
575	F	21.8	Very low	26.2	Very low	222 Å²	222	122.5 Å²	122.5	97%	0.974	75%	0.747	S	S	*	*			trans	-64.9	129.6	-169.6	-67	-96.9	0	0	0	111.9
576	S	24.8	Very low	26.2	Very low	117 Å²	117	127.3 Å²	127.3	82%	0.818	77%	0.766	S	S	*	*			trans	-134.9	107	159.7	-166.6	0	0	0	0	108.3	S574	S574-S576 PolarHBondContact O-N 3.16Å
577	T	27.4	Very low	26.4	Very low	131 Å²	131	130.7 Å²	130.7	80%	0.804	77%	0.773	S	S	*	*			trans	-68.8	132.1	172.6	44.2	0	0	0	0	109.2
578	A	27.8	Very low	26.3	Very low	110 Å²	110	134.2 Å²	134.2	91%	0.909	78%	0.776	S	S	*	*			trans	-54.5	137.5	-167	0	0	0	0	0	114.1
579	S	25.7	Very low	26.7	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	78%	0.78	S	S	*	*			trans	-115.3	123.3	172.5	-164.6	0	0	0	0	110.8
580	T	27.1	Very low	27	Very low	127 Å²	127	134.6 Å²	134.6	78%	0.779	78%	0.78	S	S	*	*			trans	27.2	114	145.4	56	0	0	0	0	120.6
581	A	24.4	Very low	27.3	Very low	92 Å²	92	135.4 Å²	135.4	76%	0.76	77%	0.774	S	S	*	*			trans	169.2	151.3	143.6	0	0	0	0	0	109.9
582	H	24.6	Very low	27.5	Very low	181 Å²	181	135.2 Å²	135.2	84%	0.838	77%	0.773	S	S	*	*			cis	-166.8	133.5	-25.4	-132.8	-89.8	0	0	0	106.4
583	V	27.5	Very low	27.5	Very low	143 Å²	143	134.1 Å²	134.1	87%	0.867	77%	0.766	S	S	*	*			trans	-141.5	142.7	163.3	-174.9	0	0	0	0	109.3
584	S	22.9	Very low	27.8	Very low	86 Å²	86	131 Å²	131	60%	0.601	76%	0.762	S	S	*	*			trans	-111.7	142.8	-164.7	53.8	0	0	0	0	114.6
585	F	30.4	Very low	27.8	Very low	188 Å²	188	131.4 Å²	131.4	83%	0.825	75%	0.754	S	S	*	*			trans	-140.9	126.4	139.4	-79.1	-75.5	0	0	0	106.4
586	L	31.5	Very low	28	Very low	145 Å²	145	124.6 Å²	124.6	76%	0.759	74%	0.739	S	S	*	*				50.8	129.8	94.1	-82.3	77.1	0	0	0	113
587	K	32.3	Very low	27.9	Very low	165 Å²	165	125.1 Å²	125.1	72%	0.717	74%	0.737	S	S	*	*			cis	-162.9	124.7	1	-177.6	167.9	-177.9	179.3	0	106.3
588	E	28.4	Very low	27.9	Very low	152 Å²	152	124.7 Å²	124.7	71%	0.71	73%	0.734	S	S	*	*				56.1	148.7	94.4	-145.8	-150.7	166.6	0	0	114.9
589	P	36.1	Very low	27.9	Very low	100 Å²	100	125.2 Å²	125.2	65%	0.649	73%	0.726	S	S	*	*			cis	-106.4	-168.2	-18.1	15.6	10	0	0	0	110.3
590	T	31.6	Very low	28	Very low	119 Å²	119	125.1 Å²	125.1	73%	0.73	73%	0.725	S	S	*	*				175.5	139	60	-61.9	0	0	0	0	107.6
591	I	32.9	Very low	27.9	Very low	135 Å²	135	123.3 Å²	123.3	69%	0.692	72%	0.723	S	S	*	*			cis	-143.6	130.4	-17.8	-108.7	169.1	0	0	0	104
592	T	27.9	Very low	28.1	Very low	100 Å²	100	120.3 Å²	120.3	61%	0.613	70%	0.696	S	S	*	*				52.5	143.5	88.2	-2	0	0	0	0	113.7	I595	T592-I595 HydrophobicContact CG2-CD1 3.78Å
593	S	26.7	Very low	28.1	Very low	92 Å²	92	117.6 Å²	117.6	64%	0.643	69%	0.693	S	S	*	*			cis	-140	173.6	10	-56.3	0	0	0	0	108.8
594	T	28.4	Very low	28.2	Very low	123 Å²	123	112.1 Å²	112.1	76%	0.755	66%	0.66	S	S	*	*			cis	-152.2	135.2	22.6	-18.3	0	0	0	0	105.2
595	I	24.2	Very low	28.4	Very low	126 Å²	126	116.9 Å²	116.9	65%	0.646	67%	0.673	S	S	*	*			cis	63.8	130.7	49.4	-52.3	164.5	0	0	0	109.6	T592	T592-I595 HydrophobicContact CG2-CD1 3.78Å
596	A	26.5	Very low	28.4	Very low	79 Å²	79	113 Å²	113	65%	0.653	67%	0.666	S	S	*	*			cis	-130.8	171.6	10.2	0	0	0	0	0	110.8
597	V	22.2	Very low	28.4	Very low	128 Å²	128	113.2 Å²	113.2	78%	0.776	67%	0.667	S	S	*	*			cis	73.5	85.4	14.8	-169	0	0	0	0	116.8
598	T	27.3	Very low	28.1	Very low	122 Å²	122	112.8 Å²	112.8	75%	0.748	67%	0.671	S	S	*	*			trans	-167.1	122.8	145.6	34.5	0	0	0	0	106.7
599	T	27	Very low	28.3	Very low	120 Å²	120	110.9 Å²	110.9	74%	0.736	67%	0.673	S	S	*	*				61.4	140.7	70.9	67.5	0	0	0	0	113
600	S	27.9	Very low	27.9	Very low	105 Å²	105	110.8 Å²	110.8	73%	0.734	67%	0.674	S	S	*	*			cis	-169.3	163.8	10.6	20.6	0	0	0	0	112.3
601	A	25.3	Very low	27.7	Very low	88 Å²	88	110.5 Å²	110.5	73%	0.727	67%	0.672	S	S	*	*			trans	64.8	162.6	160.5	0	0	0	0	0	117.5
602	S	29.2	Very low	27.6	Very low	29 Å²	29	107.2 Å²	107.2	20%	0.203	66%	0.658	C	S	.	*			cis	-130.3	159.7	-11.5	-9.1	0	0	0	0	108.8	C1075 F1076	S602-C1075 WeakPolarHBondContact CB-O 3.33Å; S602-C1075 PolarHBondContact OG-O 2.72Å; S602-F1076 PolarHBondContact N-O 3.37Å; S602-F1076 CarbonylContact O-C 3.54Å; S602-F1076 VanDerWaalsContact O-CA 3.23Å; S602-F1076 WeakPolarHBondContact O-CA 3.4Å; S602-F1076 PolarHBondContact O-N 3.48Å
603	V	24.7	Very low	27.7	Very low	125 Å²	125	106.8 Å²	106.8	76%	0.758	65%	0.652	S	S	*	*			cis	72.1	86.8	39.6	-171.7	0	0	0	0	114.3	C1075	V603-C1075 WeakPolarHBondContact O-CA 3.31Å; V603-C1075 PolarHBondContact O-N 3.27Å
604	S	28.1	Very low	27.8	Very low	27 Å²	27	111 Å²	111	19%	0.189	66%	0.659	C	S	.	*			trans	-170	113.9	162.3	32.6	0	0	0	0	112.2	C1075 F1076	S604-C1075 WeakPolarHBondContact OG-CA 3.45Å; S604-F1076 WeakPolarHBondContact O-CE1 3.37Å; S604-F1076 WeakPolarHBondContact OG-CD1 3.1Å; S604-F1076 WeakPolarHBondContact OG-CD2 3.32Å; S604-F1076 WeakPolarHBondContact OG-CE1 3.28Å; S604-F1076 WeakPolarHBondContact OG-CE2 3.17Å; S604-F1076 WeakPolarHBondContact OG-CG 3.3Å; S604-F1076 WeakPolarHBondContact OG-CZ 3.13Å; S604-F1076 PolarHBondContact OG-N 3.48Å
605	H	28.9	Very low	27.8	Very low	186 Å²	186	110.4 Å²	110.4	86%	0.861	66%	0.66	S	S	*	*			trans	-112.5	140	147.5	-72.3	7.4	0	0	0	106.5
606	P	30.6	Very low	27.9	Very low	106 Å²	106	108.9 Å²	108.9	69%	0.688	66%	0.661	S	S	*	*			trans	-123.6	123.9	136	-0.3	21.8	0	0	0	109.6
607	I	31.1	Very low	28.1	Very low	150 Å²	150	111 Å²	111	77%	0.769	67%	0.665	S	S	*	*				80.5	128	80.2	-70.4	163.9	0	0	0	112.4
608	L	26.3	Very low	28.4	Very low	156 Å²	156	109.4 Å²	109.4	82%	0.817	66%	0.66	S	S	*	*			trans	-71.2	145.4	175.2	-68.9	71.3	0	0	0	110.8
609	P	32.7	Very low	28.6	Very low	113 Å²	113	109.3 Å²	109.3	73%	0.734	66%	0.659	S	S	*	*				-108.8	134.7	121.9	-12.3	30.4	0	0	0	110
610	S	27.2	Very low	28.7	Very low	97 Å²	97	107.5 Å²	107.5	68%	0.678	65%	0.651	S	S	*	*				76.1	145.7	66.4	-160.8	0	0	0	0	113.4	Y21 T612	Y21-S610 PolarHBondContact OH-O 2.82Å; S610-T612 PolarHBondContact O-N 3.22Å
611	V	27.4	Very low	29	Very low	113 Å²	113	110.1 Å²	110.1	69%	0.685	65%	0.652	S	S	*	*	S	Bend	trans	-66.7	122.1	-164.4	-177.9	0	0	0	0	112.7
612	T	30.9	Very low	29.3	Very low	67 Å²	67	110.2 Å²	110.2	41%	0.411	65%	0.647	S	S	.	*	S	Bend	trans	52.8	126.6	161.3	58.9	0	0	0	0	120.9	Y21 S610	Y21-T612 HydrophobicContact CD2-CG2 3.64Å; Y21-T612 HydrophobicContact CE2-CG2 3.7Å; Y21-T612 VanDerWaalsContact CE2-N 3.31Å; Y21-T612 PolarHBondContact OH-N 2.83Å; S610-T612 PolarHBondContact O-N 3.22Å
613	N	29.2	Very low	29.5	Very low	90 Å²	90	116.1 Å²	116.1	48%	0.481	68%	0.676	S	S	.	*			trans	83.8	147.3	146.6	-76.5	-44.1	0	0	0	121.3	Q19	Q19-N613 VanDerWaalsContact CG-OD1 3.25Å; Q19-N613 WeakPolarHBondContact CG-OD1 3.44Å; Q19-N613 PolarHBondContact NE2-OD1 2.75Å; Q19-N613 PolarHBondContact OE1-OD1 3.28Å
614	F	29.3	Very low	29.8	Very low	182 Å²	182	115.1 Å²	115.1	80%	0.798	68%	0.675	S	S	*	*			trans	71.3	119.9	168.1	-71.2	-71.5	0	0	0	121.3
615	S	27.5	Very low	29.7	Very low	110 Å²	110	117.7 Å²	117.7	77%	0.769	70%	0.698	S	S	*	*			trans	66.3	150.3	147	-67.6	0	0	0	0	119.6
616	S	27.2	Very low	29.8	Very low	94 Å²	94	115 Å²	115	66%	0.657	70%	0.695	S	S	*	*			cis	-176.5	157.8	-17.9	50.8	0	0	0	0	109
617	V	29.6	Very low	29.6	Very low	123 Å²	123	116.9 Å²	116.9	75%	0.745	70%	0.703	S	S	*	*			trans	57.5	101.7	151.2	168.7	0	0	0	0	115.6
618	S	28.8	Very low	30	Very low	95 Å²	95	114.4 Å²	114.4	66%	0.664	70%	0.697	S	S	*	*				64.4	157.7	78.4	87.9	0	0	0	0	114
619	T	32.7	Very low	30.1	Very low	119 Å²	119	112.1 Å²	112.1	73%	0.73	69%	0.694	S	S	*	*			cis	-153.4	-170.4	14.3	-21	0	0	0	0	111.7
620	S	28.4	Very low	29.7	Very low	82 Å²	82	111.3 Å²	111.3	57%	0.573	69%	0.691	S	S	*	*			trans	-37	178.3	165.8	39	0	0	0	0	118.7
621	E	35.2	Very low	29.9	Very low	161 Å²	161	113.2 Å²	113.2	75%	0.752	69%	0.693	S	S	*	*			cis	-158.8	141.2	41.3	-119.6	121.5	-109.8	0	0	111.2
622	S	30.6	Very low	29.9	Very low	89 Å²	89	116.8 Å²	116.8	62%	0.622	70%	0.699	S	S	*	*				89.5	150	80.9	90.3	0	0	0	0	115.2
623	N	32.7	Very low	29.7	Very low	153 Å²	153	118.3 Å²	118.3	82%	0.818	71%	0.709	S	S	*	*			cis	-111	-147.7	-0.4	-80.5	-82.1	0	0	0	110.5
624	S	30.6	Very low	29.5	Very low	104 Å²	104	123.4 Å²	123.4	73%	0.727	73%	0.727	S	S	*	*			cis	-160	155.3	5.2	-161.8	0	0	0	0	107.3
625	A	27.4	Very low	29.7	Very low	82 Å²	82	120 Å²	120	68%	0.678	72%	0.723	S	S	*	*			cis	74.9	136.8	28.5	0	0	0	0	0	114.1
626	V	29.7	Very low	29.9	Very low	130 Å²	130	121.2 Å²	121.2	79%	0.788	73%	0.726	S	S	*	*			cis	-139.9	142.3	14.5	175.4	0	0	0	0	111.9
627	V	27.2	Very low	30.1	Very low	144 Å²	144	122.3 Å²	122.3	87%	0.873	73%	0.733	S	S	*	*			trans	-154.4	119.8	167.1	-179.5	0	0	0	0	112.6
628	P	39.1	Very low	30.1	Very low	99 Å²	99	122.8 Å²	122.8	64%	0.643	74%	0.737	S	S	*	*			trans	-154.9	161	148	39.2	-21.2	0	0	0	118.7
629	S	28	Very low	30.2	Very low	108 Å²	108	125.2 Å²	125.2	76%	0.755	74%	0.741	S	S	*	*			trans	66.9	149.5	140.5	53.2	0	0	0	0	123.5
630	S	26.1	Very low	30	Very low	96 Å²	96	125.2 Å²	125.2	67%	0.671	74%	0.741	S	S	*	*			cis	-178	149.1	-15.2	55.2	0	0	0	0	116.8
631	I	29.6	Very low	30.2	Very low	137 Å²	137	127.4 Å²	127.4	70%	0.703	75%	0.751	S	S	*	*			trans	85.2	141.4	134.9	-78.2	165.7	0	0	0	123.8
632	F	27.7	Very low	29.9	Very low	188 Å²	188	125.4 Å²	125.4	83%	0.825	76%	0.755	S	S	*	*			trans	70.5	143.4	170	-66.4	-43.9	0	0	0	119.1
633	T	27	Very low	29.9	Very low	99 Å²	99	125.8 Å²	125.8	61%	0.607	76%	0.763	S	S	*	*			cis	-154.5	151.1	2.3	-6.6	0	0	0	0	115.1
634	F	26.2	Very low	29.8	Very low	196 Å²	196	124.4 Å²	124.4	86%	0.86	76%	0.761	S	S	*	*			trans	69.9	157.1	153.3	-65	-46.1	0	0	0	123.9
635	P	33.2	Very low	29.8	Very low	112 Å²	112	126.1 Å²	126.1	73%	0.727	76%	0.76	S	S	*	*			trans	-137.3	173.8	-156.3	44	-25.9	0	0	0	117.8
636	T	31.1	Very low	30	Very low	135 Å²	135	129.6 Å²	129.6	83%	0.828	77%	0.766	S	S	*	*			trans	-153.6	135.5	156.2	7.7	0	0	0	0	115.4
637	S	31.1	Very low	30	Very low	116 Å²	116	127.7 Å²	127.7	81%	0.811	76%	0.758	S	S	*	*			trans	53.8	129.9	145.3	-54.8	0	0	0	0	123.4
638	T	29.4	Very low	30.2	Very low	133 Å²	133	125.2 Å²	125.2	82%	0.816	74%	0.743	S	S	*	*			trans	-99.1	-178.2	167.3	43.9	0	0	0	0	112.7
639	I	31.6	Very low	29.8	Very low	147 Å²	147	125.3 Å²	125.3	75%	0.754	74%	0.742	S	S	*	*			trans	102.9	92.3	162	-52.9	178.9	0	0	0	117.3
640	T	29	Very low	29.9	Very low	118 Å²	118	123.2 Å²	123.2	72%	0.724	73%	0.731	S	S	*	*				37.9	141.6	117.9	-23.1	0	0	0	0	122.8
641	T	31.4	Very low	30.2	Very low	128 Å²	128	121.1 Å²	121.1	79%	0.785	72%	0.715	S	S	*	*			trans	73.4	111.8	152.8	21.7	0	0	0	0	119.7
642	S	30	Very low	30.4	Very low	119 Å²	119	120.6 Å²	120.6	83%	0.832	72%	0.718	S	S	*	*			trans	-89.2	117	159.6	-52.8	0	0	0	0	110.5
643	A	29	Very low	30.7	Very low	97 Å²	97	115.5 Å²	115.5	80%	0.802	71%	0.711	S	S	*	*			trans	-143.4	117.9	161.3	0	0	0	0	0	108
644	T	30.9	Very low	31	Very low	125 Å²	125	115 Å²	115	77%	0.767	72%	0.717	S	S	*	*			trans	-99.1	110.6	-156.2	-46.7	0	0	0	0	112.9
645	I	31.5	Very low	31.3	Very low	139 Å²	139	111.2 Å²	111.2	71%	0.713	71%	0.71	S	S	*	*			trans	47	128.3	137	-46.2	172.8	0	0	0	117.7
646	I	31.1	Very low	31.5	Very low	156 Å²	156	113 Å²	113	80%	0.8	71%	0.708	S	S	*	*				-175.9	137.4	101.4	-80.9	160.2	0	0	0	105.1
647	S	30.6	Very low	31.7	Very low	90 Å²	90	114.2 Å²	114.2	63%	0.629	70%	0.702	S	S	*	*			cis	-144.3	140.2	16.5	-123.9	0	0	0	0	110.1
648	V	30.4	Very low	31.8	Very low	92 Å²	92	114.7 Å²	114.7	56%	0.558	70%	0.7	S	S	*	*				68.9	137.1	89.1	179.5	0	0	0	0	113.9	P1102	V648-P1102 HydrophobicContact CB-CG 3.99Å; V648-P1102 HydrophobicContact CG1-CG 4.3Å; V648-P1102 HydrophobicContact CG2-CB 4.46Å; V648-P1102 HydrophobicContact CG2-CG 3.52Å
649	T	29.8	Very low	31.9	Very low	100 Å²	100	114.2 Å²	114.2	61%	0.613	70%	0.697	S	S	*	*			cis	-97.8	-162.9	3.3	13.3	0	0	0	0	111.9	P1102	T649-P1102 CarbonylContact C-O 3.46Å; T649-P1102 WeakPolarHBondContact CA-O 3.26Å; T649-P1102 WeakPolarHBondContact CG2-O 3.44Å
650	A	31.7	Very low	32	Very low	64 Å²	64	113 Å²	113	53%	0.529	70%	0.699	S	S	.	*			cis	-144.9	173.8	3.3	0	0	0	0	0	110.6	S1101 P1102	A650-S1101 CarbonylContact O-C 3.12Å; A650-S1101 VanDerWaalsContact O-C 3.24Å; A650-S1101 VanDerWaalsContact O-O 3.07Å; A650-P1102 CarbonylContact C-O 3.49Å; A650-P1102 WeakPolarHBondContact CA-O 3.26Å; A650-P1102 PolarHBondContact N-O 2.81Å
651	T	31.7	Very low	32.2	Very low	53 Å²	53	111.1 Å²	111.1	33%	0.325	70%	0.695	S	S	.	*			trans	-151.2	152.1	177.7	-22.9	0	0	0	0	113.7	S1101 P1102 S1103	T651-S1101 WeakPolarHBondContact CB-O 3.27Å; T651-S1101 VanDerWaalsContact CG2-O 3.3Å; T651-S1101 WeakPolarHBondContact CG2-O 3.39Å; T651-S1101 PolarHBondContact OG1-O 2.97Å; T651-P1102 VanDerWaalsContact OG1-CA 3.26Å; T651-P1102 WeakPolarHBondContact OG1-CA 3.35Å; T651-S1103 WeakPolarHBondContact CB-OG 3.39Å; T651-S1103 PolarHBondContact OG1-N 3.12Å; T651-S1103 PolarHBondContact OG1-OG 2.95Å
652	T	33.9	Very low	32.1	Very low	126 Å²	126	114.3 Å²	114.3	77%	0.773	70%	0.699	S	S	*	*			trans	57.2	152.9	149.6	44.1	0	0	0	0	121.4
653	A	33.5	Very low	31.9	Very low	81 Å²	81	112.6 Å²	112.6	67%	0.669	69%	0.687	S	S	*	*			cis	-174.6	168.5	-22.7	0	0	0	0	0	110.8
654	A	34.4	Very low	31.9	Very low	89 Å²	89	118 Å²	118	74%	0.736	69%	0.692	S	S	*	*			trans	70.3	150.2	149.1	0	0	0	0	0	118.8
655	T	31.8	Very low	31.8	Very low	116 Å²	116	116.6 Å²	116.6	71%	0.712	69%	0.688	S	S	*	*			cis	-163.4	142.3	-7.7	11.4	0	0	0	0	112.3
656	Q	37.4	Very low	31.6	Very low	149 Å²	149	119 Å²	119	70%	0.696	69%	0.694	S	S	*	*			trans	53.7	151.4	141.9	-68.8	-179.7	40.2	0	0	120.7
657	K	34.5	Very low	32.1	Very low	161 Å²	161	117 Å²	117	70%	0.7	69%	0.69	S	S	*	*			cis	-161.9	157	15.1	-138.1	165.2	-175	140	0	112.7
658	T	34	Very low	32.3	Very low	125 Å²	125	118 Å²	118	77%	0.767	70%	0.695	S	S	*	*			trans	58.3	177.9	162.6	41.9	0	0	0	0	115.9
659	T	32.1	Very low	32.4	Very low	124 Å²	124	119.8 Å²	119.8	76%	0.761	71%	0.706	S	S	*	*			cis	-147.3	147.8	6.9	-34.6	0	0	0	0	110.5
660	P	33.9	Very low	32.5	Very low	120 Å²	120	119.5 Å²	119.5	78%	0.779	71%	0.709	S	S	*	*			trans	-106.9	178	-179.2	44.6	-37.6	0	0	0	112.9
661	A	32.2	Very low	33	Very low	79 Å²	79	122.4 Å²	122.4	65%	0.653	72%	0.722	S	S	*	*			cis	-158.5	164.5	14.8	0	0	0	0	0	115.5
662	F	30.1	Very low	33.3	Very low	195 Å²	195	123.6 Å²	123.6	86%	0.855	74%	0.737	S	S	*	*			trans	48.2	97.4	152.4	-67.4	-67.6	0	0	0	123.7
663	S	26.6	Very low	33.6	Very low	83 Å²	83	123.3 Å²	123.3	58%	0.58	74%	0.737	S	S	*	*				29	122.7	124.1	60.4	0	0	0	0	122.3
664	F	28.4	Very low	33.5	Very low	210 Å²	210	127.2 Å²	127.2	92%	0.921	75%	0.746	S	S	*	*				-170.6	176.4	97.1	-98.2	-68.5	0	0	0	111.8
665	S	27.6	Very low	33.3	Very low	97 Å²	97	127.4 Å²	127.4	68%	0.678	74%	0.742	S	S	*	*			trans	-48.6	130.8	-164.3	-176.7	0	0	0	0	120.3
666	F	27.3	Very low	33.2	Very low	189 Å²	189	129.2 Å²	129.2	83%	0.829	75%	0.747	S	S	*	*			trans	15.1	160.5	139.3	-54	-76.6	0	0	0	122.8
667	P	42.1	Very low	32.8	Very low	113 Å²	113	129.6 Å²	129.6	73%	0.734	75%	0.748	S	S	*	*				-129.7	-169.6	-66.4	37.2	-16.9	0	0	0	111.1
668	P	34.9	Very low	32.4	Very low	112 Å²	112	127.2 Å²	127.2	73%	0.727	75%	0.747	S	S	*	*				-158.6	168.2	113.8	38.9	-20	0	0	0	118.6
669	T	33.2	Very low	32.2	Very low	129 Å²	129	127.2 Å²	127.2	79%	0.791	75%	0.747	S	S	*	*			trans	59.1	129.6	154.4	45.6	0	0	0	0	120.7
670	S	31.2	Very low	32.1	Very low	95 Å²	95	126.3 Å²	126.3	66%	0.664	75%	0.746	S	S	*	*			cis	93.3	135	31.9	-164	0	0	0	0	113.7	A672	S670-A672 PolarHBondContact OG-N 2.96Å
671	P	42.9	Very low	32	Very low	124 Å²	124	125.4 Å²	125.4	81%	0.805	74%	0.743	S	S	*	*				-117.8	142.9	85.2	2.2	19.2	0	0	0	112.5
672	A	37.8	Very low	32	Very low	79 Å²	79	129 Å²	129	65%	0.653	75%	0.751	S	S	*	*				74.3	145.8	55.5	0	0	0	0	0	112.8	S670	S670-A672 PolarHBondContact OG-N 2.96Å
673	P	38.9	Very low	32	Very low	119 Å²	119	127.4 Å²	127.4	77%	0.773	75%	0.751	S	S	*	*			cis	-112.7	-166.8	13.2	7.9	19.4	0	0	0	113
674	L	32.6	Very low	32.5	Very low	164 Å²	164	128.4 Å²	128.4	86%	0.859	76%	0.755	S	S	*	*			cis	-154.6	-159.8	-5.5	-124.6	178.3	0	0	0	112.1
675	S	31.1	Very low	32.8	Very low	92 Å²	92	123 Å²	123	64%	0.643	74%	0.743	S	S	*	*			trans	-69.2	172.9	174.3	51.5	0	0	0	0	117.9
676	L	27.8	Very low	33	Very low	155 Å²	155	125 Å²	125	81%	0.812	75%	0.752	S	S	*	*			cis	-178.1	169.6	-29.9	-155.2	76.6	0	0	0	108.8
677	Q	29.8	Very low	33.3	Very low	157 Å²	157	120.4 Å²	120.4	73%	0.734	75%	0.748	S	S	*	*			trans	78.4	96.2	142.2	-160.7	161.4	-5.5	0	0	123.2
678	T	26.9	Very low	33	Very low	110 Å²	110	122.1 Å²	122.1	68%	0.675	75%	0.751	S	S	*	*			trans	46.5	135	133.1	66.6	0	0	0	0	125.4
679	T	29.2	Very low	33	Very low	125 Å²	125	124 Å²	124	77%	0.767	75%	0.754	S	S	*	*			trans	74.6	118.1	137.7	46.7	0	0	0	0	123.8
680	S	29.5	Very low	33.1	Very low	106 Å²	106	124 Å²	124	74%	0.741	76%	0.755	S	S	*	*				102.3	134.9	124.3	75.1	0	0	0	0	122.9
681	S	32.3	Very low	33.4	Very low	101 Å²	101	124.4 Å²	124.4	71%	0.706	76%	0.757	S	S	*	*			trans	89.9	134.6	148.2	77	0	0	0	0	122.2
682	N	32.4	Very low	33	Very low	155 Å²	155	123.6 Å²	123.6	83%	0.829	76%	0.755	S	S	*	*			trans	76.2	91.3	147.8	-59.4	-3.9	0	0	0	122.5
683	L	29.7	Very low	32.8	Very low	161 Å²	161	127.8 Å²	127.8	84%	0.843	77%	0.765	S	S	*	*			trans	-44.9	172.8	131.6	-106.7	69.3	0	0	0	113.4
684	P	37	Very low	32.4	Very low	104 Å²	104	132.1 Å²	132.1	68%	0.675	77%	0.772	S	S	*	*			cis	-140.5	169.9	18.2	42.2	-24.2	0	0	0	118.4
685	S	34.8	Very low	32.4	Very low	96 Å²	96	133.2 Å²	133.2	67%	0.671	77%	0.772	S	S	*	*			trans	45.8	139.6	138.7	67.3	0	0	0	0	121.4
686	T	31.2	Very low	32.5	Very low	139 Å²	139	133.7 Å²	133.7	85%	0.853	78%	0.776	S	S	*	*			cis	-171	176.4	2.1	16.2	0	0	0	0	106.6
687	A	35.2	Very low	32.8	Very low	92 Å²	92	134.2 Å²	134.2	76%	0.76	78%	0.778	S	S	*	*			cis	-132.4	-134.4	9.1	0	0	0	0	0	110.4
688	N	35.2	Very low	33.1	Very low	149 Å²	149	135.5 Å²	135.5	80%	0.797	78%	0.782	S	S	*	*			trans	-148.2	150.4	-177.9	-119.7	-27.2	0	0	0	114.5
689	L	33.7	Very low	33.8	Very low	151 Å²	151	135.7 Å²	135.7	79%	0.791	79%	0.785	S	S	*	*			trans	-147	145.9	160.8	-130.1	-178.6	0	0	0	108.6
690	T	36.3	Very low	34	Very low	130 Å²	130	137 Å²	137	80%	0.798	79%	0.785	S	S	*	*	S	Bend	trans	71.1	179.7	179.6	78.5	0	0	0	0	116.5
691	S	37.1	Very low	34.2	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	78%	0.782	S	S	*	*			trans	-83.4	157.2	-153.3	48.7	0	0	0	0	116.6
692	S	34.3	Very low	34.3	Very low	108 Å²	108	137.5 Å²	137.5	76%	0.755	78%	0.784	S	S	*	*			trans	97.9	134.6	160.8	81.2	0	0	0	0	117.6
693	I	34	Very low	34.3	Very low	167 Å²	167	139.3 Å²	139.3	86%	0.856	79%	0.785	S	S	*	*	S	Bend	trans	72.5	146.6	173.7	-49	-179.8	0	0	0	114.9
694	F	31.4	Very low	34.6	Very low	210 Å²	210	136.9 Å²	136.9	92%	0.921	78%	0.781	S	S	*	*			trans	-65.9	133.9	-167.3	-85	-108.7	0	0	0	114.8
695	E	30.8	Very low	34.5	Very low	186 Å²	186	135.4 Å²	135.4	87%	0.869	79%	0.785	S	S	*	*			trans	-158.2	165.3	142.6	-139.3	172.2	-161.2	0	0	112.1
696	S	33.7	Very low	34.3	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	80%	0.797	S	S	*	*			trans	-162.4	125	-174.6	61.9	0	0	0	0	115.3
697	L	34.9	Very low	34.3	Very low	166 Å²	166	138.4 Å²	138.4	87%	0.869	79%	0.785	S	S	*	*				175.3	132.1	127.1	-94.6	158.2	0	0	0	114.4
698	K	34.9	Very low	34.1	Very low	185 Å²	185	143.3 Å²	143.3	80%	0.804	79%	0.79	S	S	*	*			trans	-14.4	171.5	157.3	-79.4	179.4	175.3	178.4	0	121.3
699	P	41.3	Very low	34.5	Very low	114 Å²	114	141.3 Å²	141.3	74%	0.74	79%	0.785	S	S	*	*			cis	-123.2	-171.9	7.9	28.4	-3.8	0	0	0	112.7
700	I	34.4	Very low	34.4	Very low	151 Å²	151	143.5 Å²	143.5	77%	0.774	79%	0.788	S	S	*	*			cis	-144.8	170.5	36.4	-75.5	175.1	0	0	0	111.5
701	S	33.7	Very low	34.1	Very low	96 Å²	96	142.8 Å²	142.8	67%	0.671	79%	0.788	S	S	*	*			trans	-48	155.1	179.6	57	0	0	0	0	116.4
702	T	34.4	Very low	33.7	Very low	122 Å²	122	142.1 Å²	142.1	75%	0.748	79%	0.789	S	S	*	*			cis	-149.2	159.1	49.6	30.6	0	0	0	0	117.8
703	F	33.2	Very low	33.6	Very low	193 Å²	193	144.3 Å²	144.3	85%	0.846	79%	0.791	S	S	*	*			trans	71	116.6	158.9	-98.2	-95.9	0	0	0	122.5
704	S	36.2	Very low	33.5	Very low	111 Å²	111	142.2 Å²	142.2	78%	0.776	79%	0.786	S	S	*	*			trans	41.6	125.7	149.5	56	0	0	0	0	120.9
705	G	33.4	Very low	33.4	Very low	73 Å²	73	137.1 Å²	137.1	75%	0.753	78%	0.776	S	S	*	*			cis	-160.6	175.2	6.5	0	0	0	0	0	112.8
706	F	32	Very low	33.4	Very low	211 Å²	211	133.9 Å²	133.9	93%	0.925	77%	0.774	S	S	*	*			trans	-99.3	163.6	-147.3	-91.3	-96.6	0	0	0	119.4
707	S	30.8	Very low	33.3	Very low	86 Å²	86	133.6 Å²	133.6	60%	0.601	78%	0.778	S	S	*	*			trans	-137.4	-175.6	166.7	71.6	0	0	0	0	109.2
708	F	29.9	Very low	33	Very low	196 Å²	196	130.8 Å²	130.8	86%	0.86	77%	0.772	S	S	*	*			cis	-152.2	-178	12.9	-120.2	-14.9	0	0	0	109.4
709	P	44.3	Very low	33	Very low	106 Å²	106	128.5 Å²	128.5	69%	0.688	77%	0.774	S	S	*	*			trans	-100.3	165	-161.8	39.5	-39.1	0	0	0	117.7
710	K	31.2	Very low	32.6	Very low	198 Å²	198	128.2 Å²	128.2	86%	0.861	77%	0.772	S	S	*	*			trans	80.9	141.7	148.9	-154	175.5	-172.3	178.4	0	117.9
711	S	29.8	Very low	32.4	Very low	114 Å²	114	127 Å²	127	80%	0.797	77%	0.772	S	S	*	*			cis	-170.2	133.6	-29.7	-89.5	0	0	0	0	112
712	A	29.9	Very low	32.7	Very low	89 Å²	89	128.4 Å²	128.4	74%	0.736	78%	0.781	S	S	*	*			trans	-164.3	135.4	159.4	0	0	0	0	0	107.7
713	I	32.4	Very low	32.4	Very low	155 Å²	155	129.4 Å²	129.4	80%	0.795	78%	0.782	S	S	*	*				62.1	110.2	67.6	-61.1	175.5	0	0	0	110.2
714	T	31.5	Very low	32.6	Very low	122 Å²	122	125.7 Å²	125.7	75%	0.748	78%	0.777	S	S	*	*			cis	-157.6	161.3	16.4	-7.7	0	0	0	0	115.3
715	S	28.3	Very low	32.2	Very low	104 Å²	104	125 Å²	125	73%	0.727	77%	0.773	S	S	*	*			trans	58.4	102.2	144.3	63.8	0	0	0	0	124.2
716	S	32.2	Very low	31.8	Very low	117 Å²	117	126.4 Å²	126.4	82%	0.818	77%	0.771	S	S	*	*			trans	163.4	132.3	135.5	39.3	0	0	0	0	107.4
717	A	29.9	Very low	31.8	Very low	96 Å²	96	123.1 Å²	123.1	79%	0.793	77%	0.768	S	S	*	*			cis	71.4	115.7	36.7	0	0	0	0	0	114.1
718	S	30.3	Very low	31.6	Very low	107 Å²	107	123 Å²	123	75%	0.748	77%	0.772	S	S	*	*			cis	-166.2	133.5	-9	48.2	0	0	0	0	112.7
719	V	33.2	Very low	31.9	Very low	138 Å²	138	123.2 Å²	123.2	84%	0.836	77%	0.772	S	S	*	*			trans	28.8	122.8	143.9	-178.7	0	0	0	0	119
720	P	34.5	Very low	31.2	Very low	108 Å²	108	125.3 Å²	125.3	70%	0.701	78%	0.778	S	S	*	*				-145.2	152	115.9	38.2	-23.6	0	0	0	118.2
721	T	29.9	Very low	31.4	Very low	126 Å²	126	121.4 Å²	121.4	77%	0.773	77%	0.771	S	S	*	*			trans	56	95.5	147.3	54.5	0	0	0	0	121.7
722	S	38.7	Very low	31.5	Very low	125 Å²	125	121.9 Å²	121.9	87%	0.874	77%	0.768	S	S	*	*				-132.6	147.6	102.2	61.4	0	0	0	0	109.6
723	N	29.1	Very low	31.5	Very low	142 Å²	142	125.2 Å²	125.2	76%	0.759	77%	0.769	S	S	*	*			trans	-115.8	176	-169.1	-120.9	-15.3	0	0	0	109.3
724	P	36.3	Very low	31.5	Very low	115 Å²	115	121.1 Å²	121.1	75%	0.747	75%	0.754	S	S	*	*			cis	-118.7	149.4	19.2	38.7	-23.4	0	0	0	114
725	S	28.3	Very low	31.5	Very low	98 Å²	98	121.9 Å²	121.9	69%	0.685	75%	0.754	S	S	*	*				68.5	163.2	85.3	-150.9	0	0	0	0	116.3
726	S	26.4	Very low	31.6	Very low	102 Å²	102	122.3 Å²	122.3	71%	0.713	76%	0.756	S	S	*	*			trans	-61.7	145.9	176	56.7	0	0	0	0	113.6
727	V	31.5	Very low	31.6	Very low	142 Å²	142	121.6 Å²	121.6	86%	0.861	75%	0.751	S	S	*	*				-171.6	157.4	130	137	0	0	0	0	110
728	A	26.6	Very low	31.6	Very low	83 Å²	83	126.3 Å²	126.3	69%	0.686	75%	0.754	S	S	*	*			trans	-87.4	153.6	-179.1	0	0	0	0	0	113.8
729	K	36.2	Very low	32.3	Very low	200 Å²	200	126 Å²	126	87%	0.87	75%	0.749	S	S	*	*			trans	-175.3	134.3	136.3	-98.7	153.3	-173.7	-178.1	0	107.9
730	N	30	Very low	32.2	Very low	150 Å²	150	127.4 Å²	127.4	80%	0.802	75%	0.745	S	S	*	*				59	136.2	53.4	-79.3	9.6	0	0	0	112.8
731	T	34	Very low	32	Very low	116 Å²	116	125.7 Å²	125.7	71%	0.712	73%	0.732	S	S	*	*			cis	-139.7	135.9	10.9	-40.9	0	0	0	0	107.7
732	V	32.5	Very low	31.9	Very low	124 Å²	124	128.8 Å²	128.8	75%	0.752	74%	0.735	S	S	*	*	S	Bend		169.7	138.3	103.4	154.4	0	0	0	0	105.2
733	Q	30.6	Very low	31.6	Very low	159 Å²	159	124.6 Å²	124.6	74%	0.743	71%	0.712	S	S	*	*	S	Bend	cis	-154.8	163.7	-16.1	-110.9	-170.9	-86.2	0	0	107.2
734	S	31.9	Very low	31.7	Very low	69 Å²	69	123.8 Å²	123.8	48%	0.483	72%	0.718	S	S	.	*			cis	-146.1	172.6	-4.4	-142.8	0	0	0	0	109.6	S736	S734-S736 PolarHBondContact O-N 2.67Å
735	D	31.2	Very low	31.6	Very low	139 Å²	139	124.2 Å²	124.2	74%	0.743	72%	0.723	S	S	*	*			trans	44.4	43.1	148.6	-54.1	-52.3	0	0	0	120.1
736	S	30.7	Very low	31.9	Very low	112 Å²	112	126.1 Å²	126.1	78%	0.783	73%	0.726	S	S	*	*				66.7	153.6	113.7	86.8	0	0	0	0	120.9	S734	S734-S736 PolarHBondContact O-N 2.67Å
737	S	31	Very low	32.7	Very low	102 Å²	102	126.2 Å²	126.2	71%	0.713	72%	0.724	S	S	*	*			trans	-156.3	157.2	169.2	72.8	0	0	0	0	113.9
738	K	31.2	Very low	32.8	Very low	196 Å²	196	127.8 Å²	127.8	85%	0.852	72%	0.722	S	S	*	*			trans	71.2	-165.5	149.8	-87.5	180	174.5	174.5	0	116.2
739	P	44.1	Very low	33	Very low	100 Å²	100	128.1 Å²	128.1	65%	0.649	72%	0.717	S	S	*	*				-145.9	-139.9	-94.4	46.2	-22.9	0	0	0	116.4
740	F	30.5	Very low	32.8	Very low	168 Å²	168	122 Å²	122	74%	0.737	69%	0.693	S	S	*	*			trans	100.6	165.4	167.4	-77.2	-77.6	0	0	0	121.3	R163	R163-F740 VanDerWaalsContact CD-O 3.27Å; R163-F740 WeakPolarHBondContact CD-O 3.3Å; R163-F740 VanDerWaalsContact CG-O 3.26Å; R163-F740 WeakPolarHBondContact CG-O 3.5Å
741	T	31.8	Very low	32.6	Very low	72 Å²	72	117 Å²	117	44%	0.442	67%	0.67	S	S	.	*				-108.2	-152.7	-129.9	-28.8	0	0	0	0	114.7	R163	R163-T741 WeakPolarHBondContact CD-O 3.48Å; R163-T741 VanDerWaalsContact NE-CA 3.27Å; R163-T741 PolarHBondContact NE-O 3.45Å; R163-T741 PolarHBondContact NH1-O 2.81Å
742	F	27.8	Very low	32.4	Very low	190 Å²	190	113.2 Å²	113.2	83%	0.833	65%	0.646	S	S	*	*			cis	-140.5	168.5	-1.4	-122.8	-56.2	0	0	0	112	R163	R163-F742 VanDerWaalsContact CZ-C 3.48Å; R163-F742 VanDerWaalsContact CZ-O 3.32Å; R163-F742 VanDerWaalsContact NH1-C 3.33Å; R163-F742 VanDerWaalsContact NH1-N 3.15Å; R163-F742 PolarHBondContact NH1-O 3.42Å; R163-F742 VanDerWaalsContact NH2-CA 3.35Å; R163-F742 PolarHBondContact NH2-O 2.8Å
743	G	31	Very low	32.6	Very low	37 Å²	37	110.9 Å²	110.9	38%	0.381	64%	0.64	S	S	.	*			trans	82.9	131.3	-175.4	0	0	0	0	0	114.4	R163	R163-G743 PolarHBondContact NH2-O 2.82Å
744	S	31.3	Very low	32.6	Very low	126 Å²	126	108.2 Å²	108.2	88%	0.881	64%	0.639	S	S	*	*			cis	86.1	123.8	48.9	67.8	0	0	0	0	112.7
745	S	34.4	Very low	32.7	Very low	123 Å²	123	109.8 Å²	109.8	86%	0.86	64%	0.641	S	S	*	*			cis	-116.3	-173	10.5	53.7	0	0	0	0	114.1
746	N	35	Very low	32.9	Very low	139 Å²	139	107.8 Å²	107.8	74%	0.743	63%	0.626	S	S	*	*			trans	-148.4	171.9	-161.2	-143.9	26.7	0	0	0	111.1
747	P	43.6	Very low	32.9	Very low	104 Å²	104	106.4 Å²	106.4	68%	0.675	61%	0.613	S	S	*	*				-132.2	-165.6	-81.3	43.1	-27.7	0	0	0	114.8
748	Q	32.5	Very low	32.9	Very low	174 Å²	174	109.7 Å²	109.7	81%	0.813	62%	0.615	S	S	*	*			trans	-62.7	162.7	176.8	-61	164.4	-72.4	0	0	115.6
749	P	32.4	Very low	32.9	Very low	90 Å²	90	100.5 Å²	100.5	58%	0.584	58%	0.575	S	S	*	*			trans	-104.7	-168.8	176.3	41	-33.8	0	0	0	115.7	C176	C176-P749 PolarHBondContact SG-O 2.87Å
750	I	30.4	Very low	32.3	Very low	71 Å²	71	97.8 Å²	97.8	36%	0.364	56%	0.562	S	S	.	*			trans	57.2	126.8	160.6	6.3	-173.2	0	0	0	126.6	S172 G175 C176	S172-I750 WeakPolarHBondContact CA-O 3.45Å; G175-I750 VanDerWaalsContact O-CB 3.3Å; G175-I750 WeakPolarHBondContact O-CB 3.4Å; G175-I750 WeakPolarHBondContact O-CG2 3.36Å; C176-I750 PolarHBondContact SG-O 2.72Å
751	S	27.5	Very low	32.2	Very low	46 Å²	46	93.6 Å²	93.6	32%	0.322	55%	0.553	S	S	.	*			trans	51.1	129.6	140.3	-167.5	0	0	0	0	121.7	S172 T173 V174 G175	S172-S751 CarbonylContact C-O 3.18Å; S172-S751 VanDerWaalsContact CA-C 3.49Å; S172-S751 WeakPolarHBondContact CA-O 3.39Å; T173-S751 PolarHBondContact N-O 3.26Å; V174-S751 PolarHBondContact N-O 2.83Å; V174-S751 PolarHBondContact O-OG 3.11Å; G175-S751 PolarHBondContact N-O 3.35Å
752	T	28.9	Very low	32.3	Very low	36 Å²	36	91.3 Å²	91.3	22%	0.221	54%	0.541	C	S	.	.				178.1	166.7	65.7	67.4	0	0	0	0	113.8	I171 V174	I171-T752 VanDerWaalsContact CG2-N 3.31Å; V174-T752 VanDerWaalsContact CA-OG1 3.32Å; V174-T752 WeakPolarHBondContact CA-OG1 3.38Å; V174-T752 HydrophobicContact CB-CG2 3.88Å; V174-T752 WeakPolarHBondContact CB-OG1 3.5Å; V174-T752 WeakPolarHBondContact CG2-OG1 3.31Å; V174-T752 PolarHBondContact N-OG1 3.38Å; V174-T752 VanDerWaalsContact O-CB 3.28Å; V174-T752 WeakPolarHBondContact O-CB 3.37Å; V174-T752 VanDerWaalsContact O-CG2 3.31Å; V174-T752 WeakPolarHBondContact O-CG2 3.43Å
753	A	36.9	Very low	32.4	Very low	75 Å²	75	83.4 Å²	83.4	62%	0.62	51%	0.509	S	S	*	.				143.4	106.2	123.9	0	0	0	0	0	116.9
754	S	30.7	Very low	32.5	Very low	104 Å²	104	87 Å²	87	73%	0.727	52%	0.523	S	S	*	.			trans	38.6	111.9	138.3	-59.2	0	0	0	0	123.7
755	I	33.3	Very low	32.6	Very low	101 Å²	101	86.4 Å²	86.4	52%	0.518	51%	0.514	S	S	.	.				21.4	137.8	118.5	22.1	171	0	0	0	118.8	L128	L128-I755 HydrophobicContact CD1-CG2 4.23Å
756	F	36.5	Very low	32.5	Very low	98 Å²	98	85.5 Å²	85.5	43%	0.43	51%	0.508	S	S	.	.			cis	-147.9	160	43.2	-75.6	-77	0	0	0	117.4	E132	E132-F756 VanDerWaalsContact CD-CD2 3.45Å; E132-F756 VanDerWaalsContact CD-CE1 3.4Å; E132-F756 HydrophobicContact CG-CD1 3.35Å; E132-F756 HydrophobicContact CG-CD2 4.23Å; E132-F756 HydrophobicContact CG-CE1 3.12Å; E132-F756 HydrophobicContact CG-CE2 4.03Å; E132-F756 HydrophobicContact CG-CG 3.91Å; E132-F756 HydrophobicContact CG-CZ 3.47Å; E132-F756 VanDerWaalsContact CG-CZ 3.47Å; E132-F756 WeakPolarHBondContact OE1-CE2 3.37Å; E132-F756 WeakPolarHBondContact OE1-CZ 3.47Å; E132-F756 VanDerWaalsContact OE2-CD2 3.23Å; E132-F756 WeakPolarHBondContact OE2-CD2 3.48Å; E132-F756 VanDerWaalsContact OE2-CG 3.31Å; E132-F756 WeakPolarHBondContact OE2-CG 3.12Å
757	T	30.7	Very low	32.4	Very low	83 Å²	83	83.9 Å²	83.9	51%	0.509	51%	0.508	S	S	.	.			trans	-127.6	145	154.2	-34.3	0	0	0	0	108.8	K125 G759	K125-T757 PolarHBondContact NZ-OG1 3.35Å; T757-G759 PolarHBondContact O-N 3.31Å
758	F	30.5	Very low	32.2	Very low	171 Å²	171	86 Å²	86	75%	0.75	51%	0.513	S	S	*	.			trans	-58.4	107.1	163.2	-73.2	-82	0	0	0	110.5	R129	R129-F758 HydrophobicContact CG-CD1 4.47Å
759	G	31.9	Very low	32	Very low	2 Å²	2	84.5 Å²	84.5	2%	0.021	52%	0.515	C	S	.	.			trans	-72.6	-171.5	-171.7	0	0	0	0	0	118.1	R129 T757	R129-G759 VanDerWaalsContact NE-N 3.13Å; R129-G759 PolarHBondContact NE-O 3.38Å; R129-G759 PolarHBondContact NH2-O 2.99Å; T757-G759 PolarHBondContact O-N 3.31Å
760	A	29.9	Very low	31.9	Very low	44 Å²	44	84.5 Å²	84.5	36%	0.364	52%	0.518	S	S	.	.			trans	169.9	-152.3	178.2	0	0	0	0	0	106.6	I122 A123	I122-A760 CarbonylContact C-O 3.25Å; I122-A760 HydrophobicContact CG2-CB 3.99Å; I122-A760 WeakPolarHBondContact CG2-O 3.29Å; A123-A760 PolarHBondContact N-O 2.94Å
761	S	29.6	Very low	31.6	Very low	79 Å²	79	88.3 Å²	88.3	55%	0.552	54%	0.544	S	S	*	.	S	Bend	trans	-79.6	138.6	178.4	-179.4	0	0	0	0	118.8	I122 A123	I122-S761 VanDerWaalsContact CB-O 3.3Å; I122-S761 WeakPolarHBondContact CB-O 3.18Å; I122-S761 WeakPolarHBondContact CG2-O 3.47Å; A123-S761 VanDerWaalsContact CB-OG 3.24Å; A123-S761 WeakPolarHBondContact CB-OG 3.46Å
762	A	33	Very low	31.8	Very low	24 Å²	24	90.7 Å²	90.7	20%	0.198	56%	0.561	C	S	.	*			trans	88.1	149.1	152	0	0	0	0	0	128.6	N119 I122	N119-A762 VanDerWaalsContact C-CA 3.49Å; N119-A762 HydrophobicContact CB-CB 3.28Å; N119-A762 WeakPolarHBondContact O-CA 3.25Å; N119-A762 VanDerWaalsContact O-CB 3.25Å; N119-A762 WeakPolarHBondContact O-CB 3.12Å; I122-A762 WeakPolarHBondContact CA-O 3.24Å; I122-A762 WeakPolarHBondContact CB-O 3.18Å; I122-A762 WeakPolarHBondContact CD1-O 3.41Å; I122-A762 WeakPolarHBondContact CG1-O 3.3Å; I122-A762 PolarHBondContact N-O 2.91Å
763	V	30.7	Very low	31.9	Very low	24 Å²	24	94.1 Å²	94.1	15%	0.145	59%	0.586	C	S	.	*			trans	-83.3	-179.3	167.8	67.4	0	0	0	0	113.8	N119 S120 D121 T765	N119-V763 HydrophobicContact CB-CG1 3.97Å; N119-V763 VanDerWaalsContact CB-N 3.31Å; N119-V763 WeakPolarHBondContact CB-O 3.12Å; N119-V763 PolarHBondContact ND2-O 3.4Å; N119-V763 WeakPolarHBondContact OD1-CG1 3.34Å; S120-V763 VanDerWaalsContact N-CG1 3.34Å; S120-V763 VanDerWaalsContact N-N 3.17Å; D121-V763 HydrophobicContact CB-CB 3.61Å; D121-V763 HydrophobicContact CB-CG2 3.84Å; D121-V763 VanDerWaalsContact N-N 3.15Å; D121-V763 WeakPolarHBondContact OD2-CG2 3.16Å; V763-T765 HydrophobicContact CG2-CG2 4.2Å
764	T	33.4	Very low	31.4	Very low	112 Å²	112	97.1 Å²	97.1	69%	0.687	60%	0.596	S	S	*	*				-140.5	151.6	94.9	-35.2	0	0	0	0	115	N119	N119-T764 PolarHBondContact ND2-OG1 3.37Å
765	T	32	Very low	31.1	Very low	114 Å²	114	97 Å²	97	70%	0.699	60%	0.595	S	S	*	*			trans	-94.7	159.4	-176.7	54.5	0	0	0	0	115.9	V763	V763-T765 HydrophobicContact CG2-CG2 4.2Å
766	S	33.3	Very low	30.8	Very low	105 Å²	105	102.5 Å²	102.5	73%	0.734	62%	0.616	S	S	*	*			trans	-176	109.9	139.7	57.9	0	0	0	0	112.2
767	S	33.6	Very low	30.3	Very low	104 Å²	104	101.1 Å²	101.1	73%	0.727	63%	0.629	S	S	*	*				86.4	154.4	84.1	85.1	0	0	0	0	114.4
768	L	37.8	Very low	30.3	Very low	150 Å²	150	102.4 Å²	102.4	79%	0.785	64%	0.642	S	S	*	*			cis	-138.4	144.8	7.4	-55.7	82.5	0	0	0	112.2
769	T	28.1	Very low	30.1	Very low	141 Å²	141	100.5 Å²	100.5	87%	0.865	64%	0.644	S	S	*	*	S	Bend		-145.7	144.5	112.9	44	0	0	0	0	107.7
770	S	30.8	Very low	30.1	Very low	91 Å²	91	106 Å²	106	64%	0.636	68%	0.682	S	S	*	*			cis	-162.2	136.2	-24	45.6	0	0	0	0	107.9
771	V	25.1	Very low	30.1	Very low	151 Å²	151	112.3 Å²	112.3	92%	0.915	71%	0.706	S	S	*	*			trans	-119.2	106.4	170.4	-177.4	0	0	0	0	108.7
772	S	30.2	Very low	30.5	Very low	96 Å²	96	113.6 Å²	113.6	67%	0.671	71%	0.713	S	S	*	*			trans	-140.7	132.1	-177.7	-56.5	0	0	0	0	109.1
773	S	31	Very low	30.4	Very low	108 Å²	108	118 Å²	118	76%	0.755	74%	0.743	S	S	*	*			trans	57.8	142.6	-177.4	35.7	0	0	0	0	115.6
774	V	27.2	Very low	30.2	Very low	137 Å²	137	126 Å²	126	83%	0.83	78%	0.775	S	S	*	*			cis	63.1	80.4	8.2	-165.3	0	0	0	0	115.2
775	S	24.1	Very low	29.9	Very low	101 Å²	101	128.3 Å²	128.3	71%	0.706	78%	0.783	S	S	*	*			trans	54.7	114.8	137.6	176.5	0	0	0	0	120.8
776	F	26.6	Very low	29.7	Very low	218 Å²	218	126.2 Å²	126.2	96%	0.956	78%	0.784	S	S	*	*			trans	-142.3	120.6	136.5	-92.4	-78.7	0	0	0	110.4
777	G	27.1	Very low	29.5	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	79%	0.787	S	S	*	*			trans	70.6	141.2	167.1	0	0	0	0	0	117.8
778	S	29.4	Very low	29.2	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	79%	0.791	S	S	*	*			cis	-153.9	135.2	-8	-68.1	0	0	0	0	111.1
779	T	28.1	Very low	29.2	Very low	130 Å²	130	125.6 Å²	125.6	80%	0.798	78%	0.784	S	S	*	*			trans	28.3	110.8	149.4	55.9	0	0	0	0	119.3
780	S	32	Very low	29.4	Very low	117 Å²	117	126.2 Å²	126.2	82%	0.818	78%	0.782	S	S	*	*				147.5	173.4	100.7	60.2	0	0	0	0	108.9
781	M	29.9	Very low	29.6	Very low	177 Å²	177	127.6 Å²	127.6	87%	0.872	79%	0.791	S	S	*	*			cis	-154.2	152.7	-31.6	-109.1	-62	-156.9	0	0	107.2
782	P	36.8	Very low	29.8	Very low	106 Å²	106	123.5 Å²	123.5	69%	0.688	78%	0.78	S	S	*	*			trans	-121.4	132.2	-170.7	37.9	-24.5	0	0	0	117.4
783	S	30.8	Very low	29.9	Very low	118 Å²	118	125 Å²	125	83%	0.825	79%	0.787	S	S	*	*			trans	-151.5	152.9	159	48.4	0	0	0	0	110.1
784	F	26.8	Very low	29.8	Very low	190 Å²	190	126.2 Å²	126.2	83%	0.833	79%	0.79	S	S	*	*			cis	101.8	116.5	24.1	-130.5	-97.6	0	0	0	114.4
785	L	27.1	Very low	29.9	Very low	162 Å²	162	125.1 Å²	125.1	85%	0.848	79%	0.788	S	S	*	*			trans	72.1	147.5	159.1	-122.2	67.4	0	0	0	122.1
786	G	27	Very low	30.3	Very low	70 Å²	70	125.6 Å²	125.6	72%	0.722	79%	0.791	S	S	*	*			trans	78.4	153.4	172	0	0	0	0	0	115.7
787	S	30.4	Very low	30.5	Very low	113 Å²	113	120 Å²	120	79%	0.79	78%	0.78	S	S	*	*			cis	-159.1	139.1	-11.7	-77	0	0	0	0	106.5
788	V	26.4	Very low	30.5	Very low	135 Å²	135	124.1 Å²	124.1	82%	0.818	78%	0.778	S	S	*	*				57	130.3	75.7	176.7	0	0	0	0	112.2
789	P	38.4	Very low	30.5	Very low	97 Å²	97	122.5 Å²	122.5	63%	0.63	76%	0.764	S	S	*	*			cis	-136.7	-173.9	16.7	43.5	-26.2	0	0	0	117.5
790	N	32.8	Very low	30.2	Very low	155 Å²	155	123.2 Å²	123.2	83%	0.829	76%	0.756	S	S	*	*			trans	63.2	149.2	151.1	-65.2	-14.6	0	0	0	120.3
791	S	34.6	Very low	30.2	Very low	119 Å²	119	120.4 Å²	120.4	83%	0.832	75%	0.745	S	S	*	*			cis	-146.7	161.1	-12.7	49.3	0	0	0	0	106.7
792	G	28.3	Very low	30.3	Very low	66 Å²	66	116.7 Å²	116.7	68%	0.68	74%	0.743	S	S	*	*			cis	119.4	93.1	33.5	0	0	0	0	0	108
793	P	34	Very low	29.8	Very low	126 Å²	126	118.9 Å²	118.9	82%	0.818	75%	0.749	S	S	*	*			trans	-96.7	145.7	-167.7	36	-34	0	0	0	114.2
794	V	28.1	Very low	29.8	Very low	135 Å²	135	119 Å²	119	82%	0.818	74%	0.74	S	S	*	*			trans	-157.3	140	167.8	-106.9	0	0	0	0	111.4
795	S	29.8	Very low	29.9	Very low	114 Å²	114	113.3 Å²	113.3	80%	0.797	72%	0.723	S	S	*	*			trans	53.4	140.2	152.3	-55	0	0	0	0	119.2
796	S	32.6	Very low	29.9	Very low	110 Å²	110	111.4 Å²	111.4	77%	0.769	71%	0.708	S	S	*	*			cis	-162.3	167.9	20.7	45.4	0	0	0	0	109.7
797	S	30.1	Very low	30	Very low	102 Å²	102	112.2 Å²	112.2	71%	0.713	70%	0.701	S	S	*	*			cis	-155.3	151.4	-22	-98.8	0	0	0	0	111.2
798	F	26.9	Very low	30.2	Very low	153 Å²	153	113.1 Å²	113.1	67%	0.671	71%	0.707	S	S	*	*			trans	-95.2	-176.3	163.1	-50.7	-100.2	0	0	0	108	S1053	F798-S1053 VanDerWaalsContact CD1-OG 3.3Å; F798-S1053 WeakPolarHBondContact CD1-OG 3.19Å
799	V	28.9	Very low	30.6	Very low	78 Å²	78	110.7 Å²	110.7	47%	0.473	70%	0.696	S	S	.	*			cis	-165.8	175.8	15.1	82.6	0	0	0	0	110.6	G1054 F1055	V799-G1054 VanDerWaalsContact CG2-O 3.24Å; V799-G1054 WeakPolarHBondContact CG2-O 3.22Å; V799-F1055 HydrophobicContact CG2-CB 3.51Å; V799-F1055 HydrophobicContact CG2-CD2 3.8Å; V799-F1055 HydrophobicContact CG2-CG 4.12Å
800	F	23.3	Very low	30.4	Very low	145 Å²	145	110.4 Å²	110.4	64%	0.636	69%	0.693	S	S	*	*	S	Bend	trans	-65.2	154.5	169.4	-98.9	-97.7	0	0	0	113	G1054	F800-G1054 WeakPolarHBondContact CB-O 3.17Å; F800-G1054 PolarHBondContact N-O 3.34Å
801	G	30.8	Very low	30.3	Very low	57 Å²	57	109.4 Å²	109.4	59%	0.588	69%	0.686	S	S	*	*			trans	61.4	72.2	138.5	0	0	0	0	0	119.4
802	A	31.6	Very low	30	Very low	99 Å²	99	107.1 Å²	107.1	82%	0.818	67%	0.67	S	S	*	*			trans	-134.7	134.3	155.1	0	0	0	0	0	110.3
803	N	27.7	Very low	30.2	Very low	153 Å²	153	108.2 Å²	108.2	82%	0.818	67%	0.667	S	S	*	*			trans	-148.5	101.8	-177.2	-177.5	13.5	0	0	0	110.4
804	L	29.6	Very low	30.1	Very low	120 Å²	120	105.2 Å²	105.2	63%	0.628	66%	0.659	S	S	*	*			trans	-166.5	150.1	149	-135.8	72.6	0	0	0	112.5
805	S	29.9	Very low	30.2	Very low	70 Å²	70	102.6 Å²	102.6	49%	0.49	65%	0.652	S	S	.	*			trans	22	126.1	148.4	63.3	0	0	0	0	118.8
806	K	26.9	Very low	30.2	Very low	122 Å²	122	105.8 Å²	105.8	53%	0.53	65%	0.652	S	S	.	*			cis	-168.6	169.2	3.9	-135.7	148.2	168.4	-179.4	0	105.7	T810 I811 S812	K806-T810 VanDerWaalsContact CD-O 3.31Å; K806-T810 WeakPolarHBondContact CD-O 3.16Å; K806-T810 VanDerWaalsContact CE-O 3.31Å; K806-T810 WeakPolarHBondContact CE-O 3.42Å; K806-T810 PolarHBondContact NZ-O 3.36Å; K806-I811 PolarHBondContact NZ-O 2.87Å; K806-S812 PolarHBondContact NZ-O 2.73Å
807	P	29.8	Very low	30.1	Very low	87 Å²	87	103.7 Å²	103.7	57%	0.565	65%	0.647	S	S	*	*			trans	-52.2	148.4	153.6	25	-34.5	0	0	0	109.3	S809 T810	P807-S809 VanDerWaalsContact C-N 3.35Å; P807-S809 CarbonylContact O-C 2.74Å; P807-T810 PolarHBondContact O-N 2.96Å
808	S	34.7	Very low	30	Very low	132 Å²	132	106.8 Å²	106.8	92%	0.923	65%	0.65	S	S	*	*	S	Bend	trans	-86	86.9	144	53	0	0	0	0	104.1
809	S	34.3	Very low	30.1	Very low	84 Å²	84	104.6 Å²	104.6	59%	0.587	65%	0.65	S	S	*	*	S	Bend	cis	-70.5	98.9	42.7	43.4	0	0	0	0	122.4	P807	P807-S809 VanDerWaalsContact C-N 3.35Å; P807-S809 CarbonylContact O-C 2.74Å
810	T	34.2	Very low	30.1	Very low	91 Å²	91	109.7 Å²	109.7	56%	0.558	67%	0.671	S	S	*	*				81.6	90.1	129.8	-44.1	0	0	0	0	121.3	K806 P807	K806-T810 VanDerWaalsContact CD-O 3.31Å; K806-T810 WeakPolarHBondContact CD-O 3.16Å; K806-T810 VanDerWaalsContact CE-O 3.31Å; K806-T810 WeakPolarHBondContact CE-O 3.42Å; K806-T810 PolarHBondContact NZ-O 3.36Å; P807-T810 PolarHBondContact O-N 2.96Å
811	I	29.3	Very low	30.4	Very low	135 Å²	135	105.5 Å²	105.5	69%	0.692	67%	0.668	S	S	*	*				66.9	120.9	127.3	-61.7	173.9	0	0	0	120.7	K806	K806-I811 PolarHBondContact NZ-O 2.87Å
812	S	29.9	Very low	30.2	Very low	70 Å²	70	109.4 Å²	109.4	49%	0.49	68%	0.681	S	S	.	*			trans	65.4	159.4	149.6	-143	0	0	0	0	119.4	K806	K806-S812 PolarHBondContact NZ-O 2.73Å
813	S	31.5	Very low	30.2	Very low	90 Å²	90	109.5 Å²	109.5	63%	0.629	67%	0.672	S	S	*	*			cis	-155.8	171.7	-6	1.2	0	0	0	0	110.7
814	G	31.4	Very low	30.2	Very low	62 Å²	62	107.3 Å²	107.3	64%	0.639	67%	0.668	S	S	*	*			trans	-88.6	-157.7	163.3	0	0	0	0	0	113.2
815	A	29.9	Very low	30.5	Very low	81 Å²	81	107.5 Å²	107.5	67%	0.669	68%	0.679	S	S	*	*			cis	-168.5	-179.5	-4.8	0	0	0	0	0	109.9
816	F	30.2	Very low	30.6	Very low	181 Å²	181	112.2 Å²	112.2	79%	0.794	70%	0.698	S	S	*	*			trans	66	163.3	174	-57.6	-84.6	0	0	0	116.8
817	G	30.1	Very low	30.8	Very low	66 Å²	66	113 Å²	113	68%	0.68	71%	0.708	S	S	*	*			cis	153.6	130.1	-14.4	0	0	0	0	0	115
818	Q	29.1	Very low	30.9	Very low	167 Å²	167	114.8 Å²	114.8	78%	0.78	72%	0.718	S	S	*	*			trans	69.6	117.5	163.9	-65.9	-152.3	63	0	0	122.5
819	T	29	Very low	30.7	Very low	107 Å²	107	114.4 Å²	114.4	66%	0.656	71%	0.71	S	S	*	*				66	126.3	119.9	-37.5	0	0	0	0	123.3
820	M	29	Very low	30.4	Very low	185 Å²	185	115.7 Å²	115.7	91%	0.911	71%	0.714	S	S	*	*			trans	80.3	150.7	156.2	-121.8	-177	-73.2	0	0	121.5
821	G	28.7	Very low	30.3	Very low	57 Å²	57	117.9 Å²	117.9	59%	0.588	72%	0.722	S	S	*	*			trans	81.3	118.7	167.8	0	0	0	0	0	115.3
822	T	27.4	Very low	30.3	Very low	138 Å²	138	118.3 Å²	118.3	85%	0.847	73%	0.725	S	S	*	*				51.6	116.4	56.1	78.1	0	0	0	0	111.8
823	T	30.5	Very low	30.3	Very low	102 Å²	102	120.2 Å²	120.2	63%	0.626	75%	0.746	S	S	*	*			cis	-158.6	158	30.3	47.2	0	0	0	0	114.5
824	S	27.8	Very low	30.3	Very low	107 Å²	107	119.9 Å²	119.9	75%	0.748	76%	0.757	S	S	*	*			trans	44.6	97.1	143.2	65.6	0	0	0	0	122.2
825	S	35.8	Very low	30.3	Very low	123 Å²	123	123.3 Å²	123.3	86%	0.86	76%	0.76	S	S	*	*			trans	-176.4	148	131.4	44.3	0	0	0	0	109.1
826	L	33.6	Very low	30.4	Very low	170 Å²	170	126.2 Å²	126.2	89%	0.89	76%	0.757	S	S	*	*			cis	-136.9	169.1	-7	-166.9	62.1	0	0	0	109.2
827	N	30.4	Very low	30.1	Very low	137 Å²	137	124 Å²	124	73%	0.733	76%	0.758	S	S	*	*			trans	-77.1	159.1	-173.3	-80.6	-30.8	0	0	0	115.9
828	T	31.6	Very low	30.2	Very low	125 Å²	125	129 Å²	129	77%	0.767	76%	0.762	S	S	*	*			trans	67.7	124	143.5	44.2	0	0	0	0	122.7
829	V	30.4	Very low	30.3	Very low	125 Å²	125	124.9 Å²	124.9	76%	0.758	75%	0.748	S	S	*	*			trans	73.3	95.7	133.2	-177.1	0	0	0	0	119.4
830	V	28.6	Very low	30.1	Very low	111 Å²	111	125.8 Å²	125.8	67%	0.673	76%	0.759	S	S	*	*				29.9	108.7	122.5	-172	0	0	0	0	118.4
831	N	31.1	Very low	30.1	Very low	137 Å²	137	121.3 Å²	121.3	73%	0.733	74%	0.744	S	S	*	*				-169.8	125.3	112	-95.9	-57.2	0	0	0	108.6
832	N	29.5	Very low	30	Very low	143 Å²	143	126 Å²	126	77%	0.765	75%	0.754	S	S	*	*				60.4	109.4	85	-76.6	-41.3	0	0	0	115.5
833	A	30.8	Very low	30.2	Very low	111 Å²	111	122.9 Å²	122.9	92%	0.917	74%	0.742	S	S	*	*				-161.6	112.4	123.2	0	0	0	0	0	110.1
834	G	31.7	Very low	30.3	Very low	83 Å²	83	119.7 Å²	119.7	86%	0.856	72%	0.724	S	S	*	*			trans	-152.2	31.1	177.9	0	0	0	0	0	111.8
835	L	31.1	Very low	30.3	Very low	134 Å²	134	117.3 Å²	117.3	70%	0.702	71%	0.705	S	S	*	*			trans	-93.6	156.9	179.9	-140.9	55.8	0	0	0	106.8
836	F	32.2	Very low	29.9	Very low	142 Å²	142	115.7 Å²	115.7	62%	0.623	69%	0.694	S	S	*	*			cis	-148.1	152.6	26.6	-65.9	-109.1	0	0	0	111.8
837	T	23.1	Very low	29.8	Very low	133 Å²	133	110.3 Å²	110.3	82%	0.816	68%	0.68	S	S	*	*	S	Bend	trans	-114.4	99.1	131.7	-61.1	0	0	0	0	107.3
838	F	31.8	Very low	29.7	Very low	171 Å²	171	110.4 Å²	110.4	75%	0.75	69%	0.685	S	S	*	*			trans	27.5	95.1	156.6	-48	-63	0	0	0	117.9
839	T	33.3	Very low	29.6	Very low	81 Å²	81	109.3 Å²	109.3	50%	0.497	68%	0.682	S	S	.	*				-40.1	142.3	118.6	41.7	0	0	0	0	110.7	P841	T839-P841 WeakPolarHBondContact O-CD 3.44Å; T839-P841 WeakPolarHBondContact OG1-CB 3.29Å
840	S	23.7	Very low	29.6	Very low	126 Å²	126	109.3 Å²	109.3	88%	0.881	68%	0.677	S	S	*	*			trans	-70.2	105.5	138.7	-75.6	0	0	0	0	105.5	I842	S840-I842 PolarHBondContact O-N 3.28Å
841	P	28.2	Very low	29.8	Very low	92 Å²	92	113.6 Å²	113.6	60%	0.597	69%	0.687	S	S	*	*			trans	-95.6	97.5	-165.8	23.7	-8.1	0	0	0	110.6	T839	T839-P841 WeakPolarHBondContact O-CD 3.44Å; T839-P841 WeakPolarHBondContact OG1-CB 3.29Å
842	I	27.5	Very low	29.6	Very low	155 Å²	155	110 Å²	110	80%	0.795	68%	0.683	S	S	*	*			trans	-131.3	88.7	145.7	-67.9	92.3	0	0	0	103.4	S840	S840-I842 PolarHBondContact O-N 3.28Å
843	A	32.1	Very low	29.7	Very low	72 Å²	72	109.3 Å²	109.3	60%	0.595	69%	0.689	S	S	*	*				74	-179.4	80.7	0	0	0	0	0	111.8
844	S	31	Very low	29.7	Very low	36 Å²	36	111.4 Å²	111.4	25%	0.252	69%	0.685	S	S	.	*			trans	65.7	111.9	160.2	-145.3	0	0	0	0	118.7	S494	S494-S844 WeakPolarHBondContact CA-OG 3.34Å; S494-S844 WeakPolarHBondContact CB-OG 3.35Å
845	T	29.3	Very low	29.9	Very low	56 Å²	56	113.7 Å²	113.7	34%	0.344	69%	0.685	S	S	.	*	S	Bend		-25.6	137.4	126.4	40.2	0	0	0	0	113.9	N495	N495-T845 WeakPolarHBondContact CA-OG1 3.45Å; N495-T845 PolarHBondContact N-OG1 2.73Å; N495-T845 PolarHBondContact O-OG1 3.35Å
846	S	27.6	Very low	29.8	Very low	89 Å²	89	113.4 Å²	113.4	62%	0.622	69%	0.688	S	S	*	*	S	Bend	trans	42.3	81	155.9	58.1	0	0	0	0	118
847	G	30.2	Very low	29.6	Very low	58 Å²	58	113.7 Å²	113.7	60%	0.598	70%	0.696	S	S	*	*			trans	174.3	94.7	164.9	0	0	0	0	0	118.7
848	V	28.8	Very low	30.1	Very low	138 Å²	138	115.3 Å²	115.3	84%	0.836	70%	0.698	S	S	*	*				41.5	101.9	126.6	-175.5	0	0	0	0	118.9
849	S	28.5	Very low	30.1	Very low	102 Å²	102	111.5 Å²	111.5	71%	0.713	69%	0.693	S	S	*	*			trans	68.6	170.5	143.4	82.3	0	0	0	0	119
850	L	31.3	Very low	30	Very low	126 Å²	126	111.9 Å²	111.9	66%	0.66	70%	0.699	S	S	*	*			cis	-155.9	140.6	12.1	-162.9	68.8	0	0	0	111.2
851	F	32.4	Very low	30.5	Very low	200 Å²	200	114.3 Å²	114.3	88%	0.877	69%	0.693	S	S	*	*			trans	60.6	161.8	176.2	-52	-60.8	0	0	0	117.1
852	G	28.3	Very low	30.7	Very low	63 Å²	63	115.5 Å²	115.5	65%	0.649	70%	0.699	S	S	*	*			cis	166.3	131.4	-14.1	0	0	0	0	0	114.5
853	S	30.3	Very low	30.9	Very low	128 Å²	128	114.4 Å²	114.4	90%	0.895	70%	0.699	S	S	*	*			trans	76.4	147.8	169.5	75.7	0	0	0	0	120.7
854	N	31.4	Very low	31	Very low	155 Å²	155	115.7 Å²	115.7	83%	0.829	70%	0.704	S	S	*	*			trans	-89.8	161.8	176	-66.5	-49.8	0	0	0	111.6
855	P	35.3	Very low	30.9	Very low	131 Å²	131	121.9 Å²	121.9	85%	0.851	73%	0.734	S	S	*	*				-146.2	-171.2	109.3	39.4	-24.3	0	0	0	115.4
856	V	29.6	Very low	31.7	Very low	128 Å²	128	124.7 Å²	124.7	78%	0.776	75%	0.753	S	S	*	*			trans	-128.2	152.7	-169.5	177.6	0	0	0	0	111.2
857	N	28.7	Very low	32	Very low	148 Å²	148	126.7 Å²	126.7	79%	0.791	76%	0.761	S	S	*	*			trans	67.4	130.9	160.9	-97	-21.2	0	0	0	121.6
858	I	32.2	Very low	32.1	Very low	167 Å²	167	130.5 Å²	130.5	86%	0.856	77%	0.768	S	S	*	*			trans	-142.9	133.1	141.6	-49	178.4	0	0	0	104
859	S	32	Very low	32.3	Very low	90 Å²	90	129.9 Å²	129.9	63%	0.629	76%	0.764	S	S	*	*			cis	-137.5	137.1	25.3	-169.4	0	0	0	0	108.8
860	S	31.9	Very low	32.5	Very low	89 Å²	89	129.5 Å²	129.5	62%	0.622	76%	0.762	S	S	*	*				69	143.5	61.8	111.2	0	0	0	0	113.7
861	K	33	Very low	32.6	Very low	177 Å²	177	127.9 Å²	127.9	77%	0.77	76%	0.761	S	S	*	*			cis	-164.7	172.2	20.2	-137.7	166.8	-174.7	175.2	0	112.4
862	T	33.4	Very low	32.5	Very low	118 Å²	118	123.9 Å²	123.9	72%	0.724	76%	0.758	S	S	*	*			trans	65.4	131.1	158.2	39.9	0	0	0	0	118.4
863	V	31.7	Very low	32.4	Very low	131 Å²	131	124 Å²	124	79%	0.794	76%	0.759	S	S	*	*				69.9	129.9	61.8	176.3	0	0	0	0	110.9
864	S	33.5	Very low	32.2	Very low	99 Å²	99	127.4 Å²	127.4	69%	0.692	76%	0.758	S	S	*	*			cis	-149.3	143.4	21	13.2	0	0	0	0	111
865	L	29.2	Very low	32	Very low	167 Å²	167	125.1 Å²	125.1	87%	0.874	75%	0.754	S	S	*	*				72.5	158.5	95.7	-106.9	78.1	0	0	0	115.8
866	P	46.2	Very low	31.8	Very low	115 Å²	115	123.8 Å²	123.8	75%	0.747	75%	0.748	S	S	*	*				-140.6	178.5	-118.3	41.7	-21.6	0	0	0	117.2
867	T	34.5	Very low	31.6	Very low	130 Å²	130	124.9 Å²	124.9	80%	0.798	76%	0.755	S	S	*	*			trans	-144.9	132.4	153.5	30.6	0	0	0	0	112.3
868	N	31.2	Very low	31.6	Very low	138 Å²	138	123 Å²	123	74%	0.738	75%	0.749	S	S	*	*			trans	46	104.7	147.1	-68.9	-4.2	0	0	0	119.5
869	T	33.5	Very low	31.6	Very low	125 Å²	125	122.5 Å²	122.5	77%	0.767	75%	0.746	S	S	*	*				102.9	142.3	80.8	51	0	0	0	0	111.8
870	S	32.5	Very low	31.2	Very low	95 Å²	95	123.6 Å²	123.6	66%	0.664	75%	0.745	S	S	*	*			cis	-168.1	-179.3	-3.2	48.7	0	0	0	0	110.9
871	S	33.6	Very low	31.3	Very low	92 Å²	92	124.6 Å²	124.6	64%	0.643	75%	0.749	S	S	*	*			trans	61.1	106.1	150.5	44.4	0	0	0	0	117.8
872	S	30	Very low	30.9	Very low	116 Å²	116	123.2 Å²	123.2	81%	0.811	75%	0.75	S	S	*	*				66.3	142.7	79.6	75	0	0	0	0	114.4
873	G	27	Very low	30.6	Very low	64 Å²	64	124.6 Å²	124.6	66%	0.66	75%	0.752	S	S	*	*			cis	149	-179.1	7.3	0	0	0	0	0	110.3
874	F	26.5	Very low	30.3	Very low	201 Å²	201	125.2 Å²	125.2	88%	0.882	75%	0.751	S	S	*	*			trans	71.5	129	171.7	-68.9	-83.5	0	0	0	120.2
875	S	26	Very low	30.6	Very low	106 Å²	106	125.7 Å²	125.7	74%	0.741	75%	0.751	S	S	*	*			trans	21.4	134.3	143.7	60.6	0	0	0	0	120.1
876	S	31.6	Very low	30.3	Very low	104 Å²	104	123.8 Å²	123.8	73%	0.727	75%	0.746	S	S	*	*				-164.5	159.3	70.7	51.4	0	0	0	0	114.7
877	T	25.2	Very low	29.3	Very low	150 Å²	150	122.7 Å²	122.7	92%	0.92	74%	0.742	S	S	*	*			trans	-90.3	114.4	177.9	-23.5	0	0	0	0	110.8
878	T	30	Very low	29	Very low	108 Å²	108	122 Å²	122	66%	0.663	74%	0.737	S	S	*	*			trans	-138.8	98.4	178.7	-50.8	0	0	0	0	112.6
879	I	30.3	Very low	28.8	Very low	157 Å²	157	120.8 Å²	120.8	81%	0.805	74%	0.735	S	S	*	*			trans	58.2	105.5	137.3	-57.6	173.2	0	0	0	118.2
880	N	25.3	Very low	28.6	Very low	114 Å²	114	122.9 Å²	122.9	61%	0.61	73%	0.734	S	S	*	*			trans	-43.6	150.5	150	-104.3	-30.4	0	0	0	111.6
881	P	33.3	Very low	28.5	Very low	109 Å²	109	122.9 Å²	122.9	71%	0.708	73%	0.734	S	S	*	*				-160.1	170.7	62.8	46	-26.1	0	0	0	118.9
882	L	24.7	Very low	28.2	Very low	149 Å²	149	123.3 Å²	123.3	78%	0.78	73%	0.733	S	S	*	*				54.1	132	129.4	-170.2	67.9	0	0	0	122.5
883	L	26.3	Very low	28.3	Very low	146 Å²	146	122 Å²	122	76%	0.764	72%	0.717	S	S	*	*			trans	82	140	154.7	-85.4	166	0	0	0	122.2
884	N	26.9	Very low	28.6	Very low	144 Å²	144	121.3 Å²	121.3	77%	0.77	70%	0.702	S	S	*	*			trans	-41.8	167.7	152.7	-91.7	-13.4	0	0	0	115.2
885	P	38.1	Very low	28.9	Very low	109 Å²	109	119.1 Å²	119.1	71%	0.708	69%	0.692	S	S	*	*			cis	-139.5	-169.7	4.2	35.5	-13.6	0	0	0	115.6
886	V	24.7	Very low	29.3	Very low	127 Å²	127	117.1 Å²	117.1	77%	0.77	68%	0.675	S	S	*	*			trans	69.2	103.2	143.8	159.7	0	0	0	0	119.5
887	S	25.2	Very low	29.4	Very low	92 Å²	92	119.1 Å²	119.1	64%	0.643	68%	0.677	S	S	*	*				78.3	117.2	129.6	-59.6	0	0	0	0	123.3
888	T	27	Very low	29.6	Very low	116 Å²	116	114.6 Å²	114.6	71%	0.712	66%	0.661	S	S	*	*				67.8	99.5	129.1	60.5	0	0	0	0	121.6
889	T	28.3	Very low	29.8	Very low	112 Å²	112	116.9 Å²	116.9	69%	0.687	67%	0.667	S	S	*	*				60.3	173.4	123	16.1	0	0	0	0	118.8
890	F	29.1	Very low	29.7	Very low	170 Å²	170	118.1 Å²	118.1	75%	0.746	67%	0.667	S	S	*	*			cis	-155.8	151.1	17.5	-123.2	-48.3	0	0	0	112.7
891	S	28.9	Very low	30.1	Very low	95 Å²	95	118.2 Å²	118.2	66%	0.664	67%	0.674	S	S	*	*			trans	56.9	-169.9	144	69.2	0	0	0	0	117.4
892	T	29.1	Very low	30	Very low	100 Å²	100	117.4 Å²	117.4	61%	0.613	68%	0.676	S	S	*	*			cis	-154.9	174.4	7.9	-20.4	0	0	0	0	110.4
893	N	30.8	Very low	30.1	Very low	89 Å²	89	117.5 Å²	117.5	48%	0.476	68%	0.678	S	S	.	*			trans	-131.4	148	150.7	-86.9	-44.6	0	0	0	109.8	N421 S423	N421-N893 PolarHBondContact OD1-ND2 3.37Å; S423-N893 WeakPolarHBondContact CA-OD1 3.34Å; S423-N893 PolarHBondContact N-OD1 2.63Å
894	S	33.6	Very low	30.2	Very low	50 Å²	50	116.7 Å²	116.7	35%	0.35	68%	0.679	S	S	.	*			trans	-141.5	-152.1	-161.3	-48.6	0	0	0	0	111.2	N421 S422 S423	N421-S894 CarbonylContact C-O 3.29Å; S422-S894 VanDerWaalsContact C-N 3.34Å; S422-S894 CarbonylContact C-O 3.17Å; S422-S894 PolarHBondContact N-O 3.46Å; S422-S894 CarbonylContact O-C 3.2Å; S423-S894 VanDerWaalsContact N-N 3.18Å
895	F	32.1	Very low	30.2	Very low	155 Å²	155	116 Å²	116	68%	0.68	68%	0.679	S	S	*	*				-130.3	126.2	126.7	-104.6	-95.2	0	0	0	105.2	S422 S423	S422-F895 WeakPolarHBondContact OG-CE2 3.22Å; S422-F895 VanDerWaalsContact OG-CZ 3.29Å; S422-F895 WeakPolarHBondContact OG-CZ 3.02Å; S423-F895 CarbonylContact O-C 3.49Å; S423-F895 WeakPolarHBondContact O-CA 3.32Å
896	T	34.2	Very low	29.7	Very low	63 Å²	63	115.7 Å²	115.7	39%	0.387	68%	0.677	S	S	.	*				54.4	143.6	81.7	9.2	0	0	0	0	113.2	S422 S423	S422-T896 PolarHBondContact O-OG1 3.48Å; S423-T896 WeakPolarHBondContact O-CB 3.49Å; S423-T896 PolarHBondContact O-N 3.47Å; S423-T896 PolarHBondContact O-OG1 2.97Å
897	L	34	Very low	29.8	Very low	146 Å²	146	113.6 Å²	113.6	76%	0.764	67%	0.673	S	S	*	*			cis	-131	169	17.9	-63.7	87.5	0	0	0	112.5
898	G	30.6	Very low	29.8	Very low	56 Å²	56	118.5 Å²	118.5	58%	0.577	68%	0.683	S	S	*	*			cis	132.7	95.1	-9.7	0	0	0	0	0	115
899	I	34.1	Very low	29.7	Very low	156 Å²	156	118.6 Å²	118.6	80%	0.8	68%	0.684	S	S	*	*			trans	-144.8	123	177.8	-65.7	178.2	0	0	0	106.3
900	K	27.2	Very low	29.8	Very low	182 Å²	182	118.8 Å²	118.8	79%	0.791	69%	0.685	S	S	*	*			cis	67.5	144.2	-2.1	-80.2	-163.2	172.7	-171.8	0	118.8
901	P	33.4	Very low	29.6	Very low	116 Å²	116	115.2 Å²	115.2	75%	0.753	68%	0.681	S	S	*	*			cis	-144.8	143.2	-25.3	36.8	-17.9	0	0	0	116.7
902	A	31.8	Very low	29.5	Very low	93 Å²	93	116.5 Å²	116.5	77%	0.769	68%	0.68	S	S	*	*			trans	-155.8	126.8	149.2	0	0	0	0	0	106.4
903	N	27.1	Very low	29.5	Very low	151 Å²	151	121 Å²	121	81%	0.807	69%	0.691	S	S	*	*			cis	76	64.1	30.2	-154.7	49	0	0	0	115.1
904	V	27.8	Very low	29.3	Very low	129 Å²	129	119.9 Å²	119.9	78%	0.782	70%	0.701	S	S	*	*			trans	-127	131.1	156.7	176.9	0	0	0	0	107.7
905	T	27.1	Very low	29.2	Very low	128 Å²	128	124 Å²	124	79%	0.785	72%	0.724	S	S	*	*			trans	-133.2	118.8	167.3	-52.2	0	0	0	0	107.1
906	P	27.6	Very low	28.9	Very low	103 Å²	103	120.9 Å²	120.9	67%	0.669	72%	0.722	S	S	*	*				-146.2	175.4	127	40.2	-27.6	0	0	0	113.2
907	A	27.3	Very low	28.8	Very low	83 Å²	83	125.4 Å²	125.4	69%	0.686	74%	0.743	S	S	*	*			trans	59.4	142.3	153.1	0	0	0	0	0	119.2
908	K	24.9	Very low	28.6	Very low	196 Å²	196	123.5 Å²	123.5	85%	0.852	74%	0.742	S	S	*	*			cis	51.4	124	-3.7	-154.1	177.9	-175.4	-179.8	0	118.4
909	T	24.9	Very low	28.6	Very low	117 Å²	117	127.8 Å²	127.8	72%	0.718	75%	0.751	S	S	*	*			trans	69.4	152.5	-173.8	80.1	0	0	0	0	112.6
910	T	30.5	Very low	28.7	Very low	117 Å²	117	129 Å²	129	72%	0.718	75%	0.75	S	S	*	*			cis	-107.2	-178.2	-7.7	44.1	0	0	0	0	108.6
911	S	24.8	Very low	28.7	Very low	95 Å²	95	128 Å²	128	66%	0.664	75%	0.748	S	S	*	*			cis	42.6	167.3	45.8	70.9	0	0	0	0	112.8
912	L	27.3	Very low	28.6	Very low	122 Å²	122	129 Å²	129	64%	0.639	75%	0.753	S	S	*	*			cis	-159.1	126.7	5.7	-170.7	76.7	0	0	0	106.2
913	F	29	Very low	28.8	Very low	194 Å²	194	129.3 Å²	129.3	85%	0.851	75%	0.747	S	S	*	*			trans	58.6	146.3	178.4	-47.6	-55.2	0	0	0	117
914	G	25.6	Very low	29	Very low	66 Å²	66	128.6 Å²	128.6	68%	0.68	74%	0.743	S	S	*	*			cis	138.3	106.1	-5.1	0	0	0	0	0	112.5
915	T	31.2	Very low	29.1	Very low	137 Å²	137	128.2 Å²	128.2	84%	0.84	74%	0.741	S	S	*	*			trans	-162.5	155.1	161.7	38.3	0	0	0	0	107.1
916	S	26.7	Very low	29.1	Very low	89 Å²	89	127.5 Å²	127.5	62%	0.622	74%	0.741	S	S	*	*			cis	-173.2	147.8	-28.4	-88.9	0	0	0	0	105.2
917	N	32.2	Very low	29	Very low	157 Å²	157	127.8 Å²	127.8	84%	0.84	75%	0.746	S	S	*	*			trans	68.6	156.8	175.7	-42.1	-27.3	0	0	0	113
918	S	28.7	Very low	29	Very low	106 Å²	106	128.7 Å²	128.7	74%	0.741	75%	0.747	S	S	*	*			cis	-169.3	151.6	-9.4	32.4	0	0	0	0	108.5
919	I	31.9	Very low	29.1	Very low	147 Å²	147	126.7 Å²	126.7	75%	0.754	75%	0.745	S	S	*	*			cis	-168.4	179.8	-15.8	-166.1	158.8	0	0	0	107.9
920	F	36.8	Very low	29.3	Very low	182 Å²	182	129.3 Å²	129.3	80%	0.798	75%	0.746	S	S	*	*			trans	79.5	132.7	174.5	-76	-58.3	0	0	0	119.9
921	E	25.6	Very low	29.3	Very low	159 Å²	159	132.7 Å²	132.7	74%	0.743	75%	0.751	S	S	*	*			trans	-78.7	164.2	176	-54.1	130.4	127.9	0	0	110.9
922	T	31.1	Very low	29.3	Very low	138 Å²	138	133.8 Å²	133.8	85%	0.847	75%	0.75	S	S	*	*				-168.5	164.3	88.6	23.9	0	0	0	0	111.9
923	P	36.4	Very low	29.5	Very low	99 Å²	99	135.8 Å²	135.8	64%	0.643	75%	0.754	S	S	*	*			trans	-107.9	168	-154.2	40.9	-37	0	0	0	115.6
924	N	31.4	Very low	29.5	Very low	137 Å²	137	133.3 Å²	133.3	73%	0.733	75%	0.749	S	S	*	*				179.8	144.1	111.4	-94.4	-35.9	0	0	0	115.5
925	T	29.4	Very low	29.6	Very low	120 Å²	120	138.5 Å²	138.5	74%	0.736	76%	0.756	S	S	*	*			trans	38.8	125.7	144.8	60.5	0	0	0	0	120.2
926	S	28.1	Very low	29.6	Very low	114 Å²	114	139.6 Å²	139.6	80%	0.797	76%	0.756	S	S	*	*			cis	-159.8	135.4	11.6	-71.1	0	0	0	0	111.9
927	S	25.9	Very low	29.6	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	76%	0.764	S	S	*	*			trans	-162.1	134.7	168.1	58.2	0	0	0	0	115.3
928	S	26.9	Very low	29.5	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	76%	0.762	S	S	*	*			trans	64.7	138	155.3	71.3	0	0	0	0	121.1
929	L	25.9	Very low	29.6	Very low	155 Å²	155	139.4 Å²	139.4	81%	0.812	76%	0.761	S	S	*	*				157.4	162	120.6	-84.8	163.3	0	0	0	113
930	K	30.1	Very low	29.4	Very low	172 Å²	172	139.3 Å²	139.3	75%	0.748	77%	0.768	S	S	*	*			trans	76.3	145.1	168.5	-51.3	-174.2	-179.6	177.3	0	116.4
931	F	30.7	Very low	29.2	Very low	188 Å²	188	135.7 Å²	135.7	83%	0.825	77%	0.772	S	S	*	*			cis	-149	-158.6	-19.5	-112.1	-41.3	0	0	0	111.2
932	N	25.4	Very low	29.4	Very low	118 Å²	118	132.9 Å²	132.9	63%	0.631	77%	0.77	S	S	*	*			trans	-139.2	166.2	-149.2	-160	1.5	0	0	0	115.6
933	F	31.4	Very low	29.5	Very low	164 Å²	164	133 Å²	133	72%	0.719	77%	0.765	S	S	*	*			trans	77.9	106.9	159.7	-67.5	-57.2	0	0	0	123.2
934	N	27.6	Very low	29.3	Very low	141 Å²	141	134.6 Å²	134.6	75%	0.754	77%	0.773	S	S	*	*				63.5	131.5	119.1	-73.1	2.1	0	0	0	125.1
935	Q	27.2	Very low	29.2	Very low	175 Å²	175	131.8 Å²	131.8	82%	0.818	77%	0.768	S	S	*	*			trans	97.6	141.4	134.7	-115.4	-179.1	7.9	0	0	121.7
936	L	32	Very low	29.1	Very low	161 Å²	161	132.2 Å²	132.2	84%	0.843	77%	0.771	S	S	*	*			trans	76.7	151.7	166.4	-62.6	171.4	0	0	0	118.8
937	T	27.9	Very low	29.2	Very low	130 Å²	130	132.6 Å²	132.6	80%	0.798	77%	0.774	S	S	*	*			trans	-115.2	129.5	-164.8	48.5	0	0	0	0	112.3
938	S	28.3	Very low	29.3	Very low	113 Å²	113	130.6 Å²	130.6	79%	0.79	77%	0.77	S	S	*	*			trans	177.8	164.8	135.2	53.8	0	0	0	0	112.4
939	S	30.8	Very low	29.4	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	78%	0.782	S	S	*	*			trans	54.9	109.9	164.4	53.6	0	0	0	0	119.6
940	T	27.7	Very low	29.6	Very low	145 Å²	145	131.8 Å²	131.8	89%	0.89	78%	0.776	S	S	*	*			trans	-5.7	117.4	144.4	49	0	0	0	0	118.7
941	A	33.4	Very low	29.5	Very low	107 Å²	107	133.7 Å²	133.7	88%	0.884	79%	0.785	S	S	*	*			trans	-136.4	160.9	144.5	0	0	0	0	0	108.4
942	S	30.5	Very low	29.4	Very low	100 Å²	100	127.9 Å²	127.9	70%	0.699	78%	0.778	S	S	*	*			trans	-99.9	167.5	-167.7	60.8	0	0	0	0	114.6
943	N	33.5	Very low	29.5	Very low	140 Å²	140	128.4 Å²	128.4	75%	0.749	79%	0.785	S	S	*	*			trans	88.1	108.5	155.1	-62.7	-19.6	0	0	0	121.1
944	V	30.5	Very low	29.3	Very low	133 Å²	133	126.1 Å²	126.1	81%	0.806	79%	0.785	S	S	*	*				83.4	124.6	126.8	177.6	0	0	0	0	119.9
945	A	29.4	Very low	29.3	Very low	78 Å²	78	126.7 Å²	126.7	65%	0.645	79%	0.787	S	S	*	*			trans	68.3	101.3	155.8	0	0	0	0	0	120.3
946	T	28.7	Very low	29.4	Very low	129 Å²	129	125.4 Å²	125.4	79%	0.791	79%	0.79	S	S	*	*				32.7	120.8	125.6	57.6	0	0	0	0	118
947	S	29.7	Very low	29.4	Very low	122 Å²	122	123.1 Å²	123.1	85%	0.853	78%	0.783	S	S	*	*			cis	-165.7	161.2	36.9	-50.2	0	0	0	0	111.9
948	G	28.3	Very low	29.5	Very low	67 Å²	67	122.3 Å²	122.3	69%	0.691	78%	0.778	S	S	*	*			trans	145.7	121.3	145.6	0	0	0	0	0	119.1
949	L	27.5	Very low	29.5	Very low	183 Å²	183	123.2 Å²	123.2	96%	0.958	78%	0.779	S	S	*	*			trans	69.1	160.7	144.4	-51.6	-179.5	0	0	0	119.2
950	S	30.6	Very low	29.4	Very low	97 Å²	97	121.3 Å²	121.3	68%	0.678	77%	0.769	S	S	*	*			trans	-143.4	149.7	-163.8	57.3	0	0	0	0	112.1
951	F	28.6	Very low	29.7	Very low	213 Å²	213	119.2 Å²	119.2	93%	0.934	76%	0.757	S	S	*	*				-167.1	165.9	128.5	-95.8	-62.6	0	0	0	109
952	G	28	Very low	29.3	Very low	65 Å²	65	116.3 Å²	116.3	67%	0.67	73%	0.73	S	S	*	*			trans	-77.9	-175.9	178.4	0	0	0	0	0	113.7
953	T	26.9	Very low	29.3	Very low	129 Å²	129	115.4 Å²	115.4	79%	0.791	72%	0.72	S	S	*	*			cis	-156.7	165	20.2	45.9	0	0	0	0	113.2
954	T	27.6	Very low	29.3	Very low	117 Å²	117	113.3 Å²	113.3	72%	0.718	71%	0.712	S	S	*	*			trans	67.5	125.1	154.2	37	0	0	0	0	121.8
955	I	28	Very low	29.5	Very low	153 Å²	153	111.7 Å²	111.7	79%	0.785	70%	0.704	S	S	*	*			trans	65.7	112.7	143.3	-54	161.3	0	0	0	117.7
956	V	30.3	Very low	30.2	Very low	148 Å²	148	112.9 Å²	112.9	90%	0.897	71%	0.714	S	S	*	*			trans	-135.5	144.6	152.6	-177.3	0	0	0	0	108.6
957	T	30.6	Very low	30.9	Very low	113 Å²	113	111.5 Å²	111.5	69%	0.693	71%	0.71	S	S	*	*			trans	-86.9	143.7	-171.6	-16.9	0	0	0	0	113.4
958	T	30.7	Very low	30.8	Very low	113 Å²	113	110.1 Å²	110.1	69%	0.693	70%	0.696	S	S	*	*			trans	63.7	111.2	149.9	39.8	0	0	0	0	122.5
959	T	28.4	Very low	30.9	Very low	131 Å²	131	111.3 Å²	111.3	80%	0.804	69%	0.687	S	S	*	*				83	152.6	127.6	55	0	0	0	0	123.8
960	A	29.2	Very low	30.9	Very low	64 Å²	64	108.2 Å²	108.2	53%	0.529	67%	0.666	S	S	.	*			trans	79.7	158	162.4	0	0	0	0	0	118.4	Q971	A960-Q971 PolarHBondContact O-NE2 3.4Å; A960-Q971 VanDerWaalsContact O-NE2 3.07Å
961	T	32.6	Very low	30.8	Very low	102 Å²	102	107.5 Å²	107.5	63%	0.626	65%	0.651	S	S	*	*			cis	-156.1	133.8	-34.5	23.3	0	0	0	0	111.5	F970	T961-F970 WeakPolarHBondContact O-CD2 3.06Å; T961-F970 WeakPolarHBondContact O-CE2 2.97Å
962	S	25.8	Very low	30.8	Very low	45 Å²	45	106.1 Å²	106.1	32%	0.315	65%	0.646	S	S	.	*			trans	52.2	98.1	144.4	72.3	0	0	0	0	126.9	F970	S962-F970 VanDerWaalsContact CA-CB 3.48Å; S962-F970 VanDerWaalsContact CA-CD2 3.47Å
963	V	29.5	Very low	30.9	Very low	81 Å²	81	106.4 Å²	106.4	49%	0.491	65%	0.649	S	S	.	*			trans	-174	128	140.7	-90.6	0	0	0	0	112.9	L969 F970	V963-L969 HydrophobicContact CG1-CD1 4.08Å; V963-F970 HydrophobicContact CB-CE1 4.43Å; V963-F970 HydrophobicContact CG2-CD1 4.38Å; V963-F970 HydrophobicContact CG2-CE1 3.7Å; V963-F970 HydrophobicContact CG2-CE2 4.15Å; V963-F970 HydrophobicContact CG2-CZ 3.5Å; V963-F970 VanDerWaalsContact CG2-CZ 3.5Å; V963-F970 VanDerWaalsContact N-CD1 3.26Å; V963-F970 WeakPolarHBondContact O-CD1 3.48Å; V963-F970 WeakPolarHBondContact O-CE1 2.89Å
964	T	34.2	Very low	30.9	Very low	96 Å²	96	104.9 Å²	104.9	59%	0.589	64%	0.643	S	S	*	*			cis	-179.9	165.4	4.5	34.2	0	0	0	0	107.6	L969	T964-L969 HydrophobicContact CG2-CD1 3.88Å
965	P	35.8	Very low	31.2	Very low	99 Å²	99	106.2 Å²	106.2	64%	0.643	64%	0.639	S	S	*	*			cis	-139	122	-23.5	34.7	-12.9	0	0	0	115.6	S967 T968	P965-S967 PolarHBondContact O-N 2.99Å; P965-T968 WeakPolarHBondContact CA-O 3.3Å
966	A	42.7	Very low	31.4	Very low	103 Å²	103	102 Å²	102	85%	0.851	62%	0.623	S	S	*	*	S	Bend	trans	-88.3	49.9	150.3	0	0	0	0	0	109.1
967	S	43.1	Very low	31.6	Very low	100 Å²	100	100 Å²	100	70%	0.699	62%	0.615	S	S	*	*	S	Bend	trans	52.3	119.7	-131	73.5	0	0	0	0	111.8	P965	P965-S967 PolarHBondContact O-N 2.99Å
968	T	28.7	Very low	31.7	Very low	93 Å²	93	101.9 Å²	101.9	57%	0.571	62%	0.621	S	S	*	*	S	Bend	trans	63.5	149.5	175.1	72.2	0	0	0	0	118.9	P965	P965-T968 WeakPolarHBondContact CA-O 3.3Å
969	L	29.7	Very low	31.9	Very low	92 Å²	92	101.2 Å²	101.2	48%	0.482	62%	0.622	S	S	.	*			trans	43.5	119	139.2	-75.8	58	0	0	0	122.7	V963 T964	V963-L969 HydrophobicContact CG1-CD1 4.08Å; T964-L969 HydrophobicContact CG2-CD1 3.88Å
970	F	27.5	Very low	31.9	Very low	118 Å²	118	104.8 Å²	104.8	52%	0.518	63%	0.626	S	S	.	*			trans	-26.6	160.1	175.3	-57.5	-37.3	0	0	0	115.9	T961 S962 V963	T961-F970 WeakPolarHBondContact O-CD2 3.06Å; T961-F970 WeakPolarHBondContact O-CE2 2.97Å; S962-F970 VanDerWaalsContact CA-CB 3.48Å; S962-F970 VanDerWaalsContact CA-CD2 3.47Å; V963-F970 HydrophobicContact CB-CE1 4.43Å; V963-F970 HydrophobicContact CG2-CD1 4.38Å; V963-F970 HydrophobicContact CG2-CE1 3.7Å; V963-F970 HydrophobicContact CG2-CE2 4.15Å; V963-F970 HydrophobicContact CG2-CZ 3.5Å; V963-F970 VanDerWaalsContact CG2-CZ 3.5Å; V963-F970 VanDerWaalsContact N-CD1 3.26Å; V963-F970 WeakPolarHBondContact O-CD1 3.48Å; V963-F970 WeakPolarHBondContact O-CE1 2.89Å
971	Q	28.2	Very low	32.1	Very low	82 Å²	82	107 Å²	107	38%	0.383	64%	0.635	S	S	.	*				-176	155.8	51.9	-153.2	145.2	-12.4	0	0	117	A960	A960-Q971 PolarHBondContact O-NE2 3.4Å; A960-Q971 VanDerWaalsContact O-NE2 3.07Å
972	F	30.1	Very low	31.9	Very low	185 Å²	185	107.4 Å²	107.4	81%	0.811	64%	0.642	S	S	*	*			trans	38.2	120.3	165.8	-60.6	-36.9	0	0	0	119.7
973	G	29	Very low	31.9	Very low	71 Å²	71	109.7 Å²	109.7	73%	0.732	66%	0.663	S	S	*	*			trans	-112.7	-173.7	159.3	0	0	0	0	0	112.2
974	S	27.6	Very low	32.1	Very low	97 Å²	97	111.3 Å²	111.3	68%	0.678	67%	0.674	S	S	*	*			trans	-164.8	157.3	161.4	-81.6	0	0	0	0	111.1
975	F	32.7	Very low	32	Very low	145 Å²	145	111.6 Å²	111.6	64%	0.636	68%	0.68	S	S	*	*			trans	68	149.2	172.9	-42.5	-72.9	0	0	0	116.6	V473	V473-F975 WeakPolarHBondContact O-CE1 3.42Å
976	S	32.7	Very low	31.6	Very low	63 Å²	63	113.1 Å²	113.1	44%	0.441	69%	0.687	S	S	.	*			cis	-166.6	165.5	-31.6	51.4	0	0	0	0	107.9
977	S	35.9	Very low	31.8	Very low	106 Å²	106	113 Å²	113	74%	0.741	68%	0.68	S	S	*	*			trans	46.5	89.7	173.1	54.1	0	0	0	0	115
978	N	32.5	Very low	31.1	Very low	153 Å²	153	117.7 Å²	117.7	82%	0.818	69%	0.691	S	S	*	*				51.4	81.3	62	-133	16	0	0	0	113.7
979	S	33	Very low	31.4	Very low	100 Å²	100	117.6 Å²	117.6	70%	0.699	69%	0.691	S	S	*	*			trans	47.5	105.7	133.1	63.2	0	0	0	0	120.1
980	K	28.8	Very low	31.4	Very low	206 Å²	206	121 Å²	121	90%	0.896	71%	0.71	S	S	*	*			trans	-156.8	128.5	149	-159.2	177.2	-173.6	179.5	0	112.2
981	P	33.3	Very low	31.5	Very low	109 Å²	109	120.2 Å²	120.2	71%	0.708	72%	0.718	S	S	*	*			cis	-114	162.9	-37.9	38.2	-26.7	0	0	0	111.6	A983	P981-A983 PolarHBondContact O-N 3.01Å; P981-A983 VanDerWaalsContact O-N 3.1Å
982	S	29.7	Very low	31.5	Very low	111 Å²	111	126.2 Å²	126.2	78%	0.776	74%	0.743	S	S	*	*			trans	-71.8	99.5	165.1	51.9	0	0	0	0	110.5
983	A	26	Very low	31.5	Very low	93 Å²	93	121.2 Å²	121.2	77%	0.769	75%	0.745	S	S	*	*			trans	-113.6	45.6	162.1	0	0	0	0	0	109.6	P981 S985	P981-A983 PolarHBondContact O-N 3.01Å; P981-A983 VanDerWaalsContact O-N 3.1Å; A983-S985 PolarHBondContact O-N 2.81Å
984	T	32.5	Very low	31.5	Very low	116 Å²	116	123.4 Å²	123.4	71%	0.712	75%	0.749	S	S	*	*			trans	-79.2	112	-172.8	-24.7	0	0	0	0	110.2
985	S	31.6	Very low	31.9	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	76%	0.759	S	S	*	*			trans	55.4	107.7	170.2	46	0	0	0	0	115.8	A983	A983-S985 PolarHBondContact O-N 2.81Å
986	V	29.4	Very low	31.9	Very low	132 Å²	132	124.2 Å²	124.2	80%	0.8	77%	0.766	S	S	*	*				49	110.4	60	-170.3	0	0	0	0	109.8
987	S	45	Very low	32	Very low	100 Å²	100	126.7 Å²	126.7	70%	0.699	78%	0.781	S	S	*	*				-137.2	51.8	60.2	47.9	0	0	0	0	114.7	P989	S987-P989 VanDerWaalsContact C-CD 3.49Å; S987-P989 VanDerWaalsContact O-CD 3.24Å; S987-P989 WeakPolarHBondContact O-CD 3.45Å
988	Q	28.6	Very low	31.6	Very low	199 Å²	199	129.4 Å²	129.4	93%	0.93	78%	0.782	S	S	*	*			trans	3.9	88	-176.1	-77.1	-158.7	-37	0	0	117.9
989	P	35.9	Very low	31.4	Very low	90 Å²	90	131.1 Å²	131.1	58%	0.584	78%	0.782	S	S	*	*			trans	-127.6	139.7	173.2	35.7	-18.1	0	0	0	113.6	S987	S987-P989 VanDerWaalsContact C-CD 3.49Å; S987-P989 VanDerWaalsContact O-CD 3.24Å; S987-P989 WeakPolarHBondContact O-CD 3.45Å
990	L	29.9	Very low	31.1	Very low	165 Å²	165	130.6 Å²	130.6	86%	0.864	78%	0.779	S	S	*	*			trans	67.3	157.8	157.1	-54	164.4	0	0	0	115.9
991	S	28.8	Very low	31.2	Very low	100 Å²	100	130.7 Å²	130.7	70%	0.699	78%	0.779	S	S	*	*			cis	-148.3	179.3	-7.9	-140.6	0	0	0	0	112
992	F	27.5	Very low	31.1	Very low	208 Å²	208	129.3 Å²	129.3	91%	0.912	79%	0.785	S	S	*	*			trans	-63.2	150	-174.5	-61.8	-99.5	0	0	0	116.1
993	G	30.6	Very low	31.2	Very low	81 Å²	81	132.3 Å²	132.3	84%	0.835	79%	0.787	S	S	*	*			trans	-179.1	130.6	165	0	0	0	0	0	111.9
994	S	30.5	Very low	31.3	Very low	117 Å²	117	133.6 Å²	133.6	82%	0.818	78%	0.781	S	S	*	*			trans	-114.9	130.5	-166.2	57.4	0	0	0	0	115
995	S	35.5	Very low	31.3	Very low	127 Å²	127	136.7 Å²	136.7	89%	0.888	79%	0.785	S	S	*	*			trans	-173.6	162.9	144.3	27.7	0	0	0	0	112.2
996	V	32	Very low	31.1	Very low	131 Å²	131	138 Å²	138	79%	0.794	79%	0.788	S	S	*	*			trans	-135.5	137.6	-168.3	170.7	0	0	0	0	105.7
997	P	34.6	Very low	31.1	Very low	115 Å²	115	137.7 Å²	137.7	75%	0.747	79%	0.793	S	S	*	*				-152.8	144.5	69.1	38.8	-17.1	0	0	0	120.5
998	Q	27.2	Very low	30.3	Very low	164 Å²	164	138 Å²	138	77%	0.766	80%	0.801	S	S	*	*				35.6	154.2	129.6	-153.3	163.9	3.3	0	0	123.5
999	F	28.2	Very low	30.3	Very low	188 Å²	188	134.3 Å²	134.3	83%	0.825	80%	0.796	S	S	*	*			trans	81.6	138.1	-179.6	-60.4	-76.2	0	0	0	115.6
1000	S	28.4	Very low	30	Very low	89 Å²	89	135.8 Å²	135.8	62%	0.622	81%	0.808	S	S	*	*			cis	-164	167.2	-21.4	-147.2	0	0	0	0	111.7
1001	F	30.4	Very low	30	Very low	208 Å²	208	136.5 Å²	136.5	91%	0.912	81%	0.807	S	S	*	*			trans	62.1	126	175.4	-67.4	-77.2	0	0	0	117.9
1002	G	31.1	Very low	30.3	Very low	80 Å²	80	136.6 Å²	136.6	83%	0.825	81%	0.805	S	S	*	*			trans	-109.2	-177	-177.8	0	0	0	0	0	114.5
1003	Q	32.2	Very low	30.6	Very low	174 Å²	174	131.2 Å²	131.2	81%	0.813	79%	0.794	S	S	*	*			trans	-118.3	140.8	174.6	-73.7	-163.4	23.4	0	0	112.8
1004	N	28.4	Very low	30.7	Very low	121 Å²	121	133.4 Å²	133.4	65%	0.647	79%	0.791	S	S	*	*			trans	66	124.5	145.7	-62.9	-25.4	0	0	0	121.4
1005	F	30.9	Very low	30.7	Very low	180 Å²	180	135.5 Å²	135.5	79%	0.789	79%	0.792	S	S	*	*			trans	49.6	107.9	135.9	-74.6	-85.9	0	0	0	120.7
1006	T	28.1	Very low	30.7	Very low	128 Å²	128	134.7 Å²	134.7	79%	0.785	78%	0.784	S	S	*	*			trans	53.4	72.7	138.6	51.4	0	0	0	0	117.9
1007	S	28.4	Very low	30.6	Very low	127 Å²	127	134.1 Å²	134.1	89%	0.888	78%	0.781	S	S	*	*				-148.2	124.2	117.8	-78.9	0	0	0	0	109	C1009	S1007-C1009 PolarHBondContact O-N 2.8Å
1008	A	29.9	Very low	30.4	Very low	106 Å²	106	135.8 Å²	135.8	88%	0.876	78%	0.783	S	S	*	*			trans	-86.3	109.5	-170.1	0	0	0	0	0	111.9
1009	C	27.9	Very low	30.5	Very low	121 Å²	121	132 Å²	132	82%	0.818	77%	0.774	S	S	*	*			trans	53.2	98.2	154.1	-154.7	0	0	0	0	118.7	S1007	S1007-C1009 PolarHBondContact O-N 2.8Å
1010	S	30	Very low	30.4	Very low	121 Å²	121	132.1 Å²	132.1	85%	0.846	78%	0.775	S	S	*	*			trans	-140.8	92.7	145.9	61.2	0	0	0	0	109.6
1011	Q	29.9	Very low	30.3	Very low	180 Å²	180	133.1 Å²	133.1	84%	0.841	78%	0.782	S	S	*	*			trans	-141	157.9	174.3	-102.7	-150	-30.7	0	0	110.1
1012	P	35.2	Very low	30.2	Very low	102 Å²	102	128.3 Å²	128.3	66%	0.662	77%	0.774	S	S	*	*				-131.6	167.6	-120.8	41.2	-26.8	0	0	0	117.2
1013	S	32.4	Very low	30.3	Very low	96 Å²	96	132.5 Å²	132.5	67%	0.671	78%	0.776	S	S	*	*			trans	42.8	103.8	147.9	62	0	0	0	0	120.9
1014	T	34.3	Very low	30.4	Very low	126 Å²	126	132.1 Å²	132.1	77%	0.773	78%	0.78	S	S	*	*			trans	63	116.8	131.1	56.8	0	0	0	0	122.3
1015	L	29.9	Very low	30.7	Very low	161 Å²	161	132 Å²	132	84%	0.843	79%	0.789	S	S	*	*			trans	68.7	156.9	157.1	-89.5	72.2	0	0	0	117.9
1016	P	36	Very low	30.7	Very low	110 Å²	110	126.6 Å²	126.6	71%	0.714	78%	0.784	S	S	*	*			cis	-123	170.4	0.1	36.3	-19.5	0	0	0	116.8
1017	T	30.1	Very low	30.8	Very low	120 Å²	120	124.9 Å²	124.9	74%	0.736	78%	0.777	S	S	*	*			trans	-27.3	158.7	152.4	14.7	0	0	0	0	117.2
1018	L	30.4	Very low	30.8	Very low	149 Å²	149	124.4 Å²	124.4	78%	0.78	76%	0.763	S	S	*	*			cis	-156.5	153.6	24.7	-118.1	179.3	0	0	0	112.1
1019	S	27.6	Very low	30.8	Very low	84 Å²	84	122.4 Å²	122.4	59%	0.587	74%	0.74	S	S	*	*			trans	63.6	147.3	157	-61.2	0	0	0	0	119.8
1020	F	27.5	Very low	30.7	Very low	191 Å²	191	121 Å²	121	84%	0.838	73%	0.728	S	S	*	*			cis	-133.5	152.9	4.7	-79.4	-81.8	0	0	0	113
1021	S	26.6	Very low	30.6	Very low	111 Å²	111	121.6 Å²	121.6	78%	0.776	73%	0.727	S	S	*	*			trans	70.3	136.3	151.4	66.5	0	0	0	0	122.1
1022	S	28.2	Very low	30.7	Very low	106 Å²	106	118 Å²	118	74%	0.741	72%	0.717	S	S	*	*			trans	92.7	142.6	155	82.7	0	0	0	0	120.9
1023	L	33.2	Very low	30.6	Very low	168 Å²	168	120.1 Å²	120.1	88%	0.88	72%	0.723	S	S	*	*			trans	75.8	134.5	164.1	-67.2	161.1	0	0	0	119
1024	N	33.7	Very low	30.4	Very low	167 Å²	167	118 Å²	118	89%	0.893	71%	0.708	S	S	*	*			trans	-92.9	157.8	-163	-76.9	-15.2	0	0	0	114.2
1025	S	34.2	Very low	30.3	Very low	118 Å²	118	119 Å²	119	83%	0.825	70%	0.702	S	S	*	*			trans	-71.1	139.9	172.6	53.8	0	0	0	0	114
1026	G	32.3	Very low	30.2	Very low	66 Å²	66	115.3 Å²	115.3	68%	0.68	68%	0.681	S	S	*	*				57.6	122.4	119.2	0	0	0	0	0	120.8
1027	S	28.4	Very low	29.8	Very low	93 Å²	93	117 Å²	117	65%	0.65	68%	0.677	S	S	*	*			trans	80	85	138.1	-56.3	0	0	0	0	120.3
1028	I	30.2	Very low	29.9	Very low	117 Å²	117	114.5 Å²	114.5	60%	0.6	66%	0.664	S	S	*	*			trans	65	160.1	134.8	13.6	173.3	0	0	0	121.8	P525 T526 S527	P525-I1028 WeakPolarHBondContact O-CB 3.28Å; P525-I1028 WeakPolarHBondContact O-CD1 3.42Å; P525-I1028 WeakPolarHBondContact O-CG1 3.3Å; T526-I1028 VanDerWaalsContact O-CB 3.23Å; T526-I1028 WeakPolarHBondContact O-CB 3.46Å; T526-I1028 WeakPolarHBondContact O-CG2 3.35Å; S527-I1028 VanDerWaalsContact O-CG2 3.27Å; S527-I1028 WeakPolarHBondContact O-CG2 3.48Å
1029	T	29.7	Very low	29.9	Very low	64 Å²	64	111.2 Å²	111.2	39%	0.393	65%	0.654	S	S	.	*			trans	100.2	100.3	173.1	-30.9	0	0	0	0	118.9	T526 S527	T526-T1029 WeakPolarHBondContact CA-OG1 3.14Å; T526-T1029 WeakPolarHBondContact CB-OG1 3.23Å; T526-T1029 PolarHBondContact N-OG1 3.1Å; T526-T1029 VanDerWaalsContact O-CA 3.22Å; T526-T1029 WeakPolarHBondContact O-CA 3.12Å; T526-T1029 PolarHBondContact O-N 3.49Å; T526-T1029 PolarHBondContact O-OG1 3.43Å; T526-T1029 VanDerWaalsContact OG1-CG2 3.29Å; T526-T1029 WeakPolarHBondContact OG1-CG2 3.31Å; T526-T1029 PolarHBondContact OG1-OG1 3.15Å; S527-T1029 VanDerWaalsContact OG-CA 3.31Å; S527-T1029 WeakPolarHBondContact OG-CA 3.25Å
1030	T	25.9	Very low	30.2	Very low	90 Å²	90	111.5 Å²	111.5	55%	0.552	65%	0.652	S	S	*	*			trans	38.1	134.7	153.6	64.3	0	0	0	0	122.5	S527	S527-T1030 PolarHBondContact OG-N 3.05Å
1031	T	27	Very low	30.5	Very low	135 Å²	135	107 Å²	107	83%	0.828	64%	0.642	S	S	*	*			trans	71.1	146.9	169.4	82.7	0	0	0	0	113.9
1032	T	32.1	Very low	30.8	Very low	104 Å²	104	107.8 Å²	107.8	64%	0.638	64%	0.642	S	S	*	*			cis	-140.1	161.6	12.3	51.9	0	0	0	0	111.3
1033	N	32.2	Very low	30.9	Very low	146 Å²	146	111.5 Å²	111.5	78%	0.781	65%	0.645	S	S	*	*			trans	64.1	146.3	152	-59.7	-27	0	0	0	119.4
1034	S	29.8	Very low	30.9	Very low	51 Å²	51	107.5 Å²	107.5	36%	0.357	63%	0.631	S	S	.	*			cis	-167.6	152.9	-15.8	48.7	0	0	0	0	109.1	S389	S389-S1034 WeakPolarHBondContact CB-O 3.29Å; S389-S1034 PolarHBondContact OG-O 2.81Å; S389-S1034 PolarHBondContact OG-OG 3.21Å
1035	F	30.6	Very low	30.7	Very low	147 Å²	147	105.4 Å²	105.4	65%	0.645	62%	0.62	S	S	*	*			trans	62.3	-169.8	176.2	-50.9	-73	0	0	0	114.4	Q390	Q390-F1035 HydrophobicContact CG-CB 3.67Å
1036	Q	28.1	Very low	30.6	Very low	85 Å²	85	106.1 Å²	106.1	40%	0.397	61%	0.613	S	S	.	*				-168	141.7	-65.8	177.8	-171.5	-106.6	0	0	110.5	Q390	Q390-Q1036 WeakPolarHBondContact CA-O 3.3Å; Q390-Q1036 WeakPolarHBondContact CB-O 3.47Å; Q390-Q1036 HydrophobicContact CG-CB 4Å; Q390-Q1036 WeakPolarHBondContact CG-O 3.37Å; Q390-Q1036 PolarHBondContact OE1-O 3.15Å
1037	F	28.5	Very low	30.5	Very low	144 Å²	144	110.3 Å²	110.3	63%	0.632	62%	0.62	S	S	*	*			trans	59.7	152.6	167.9	-58.7	-27.1	0	0	0	120.2
1038	S	31.7	Very low	31.2	Very low	68 Å²	68	111.2 Å²	111.2	48%	0.476	62%	0.624	S	S	.	*	B	Isolated β-bridge	cis	-168.1	125.8	-30.6	54.5	0	0	0	0	110.6	A394	A394-S1038 VanDerWaalsContact CB-C 3.48Å; A394-S1038 WeakPolarHBondContact CB-O 3.26Å
1039	S	30.7	Very low	31.6	Very low	80 Å²	80	110.6 Å²	110.6	56%	0.559	63%	0.627	S	S	*	*			trans	28.5	127.7	143.4	67.3	0	0	0	0	119.2	T393	T393-S1039 PolarHBondContact O-N 3.32Å; T393-S1039 VanDerWaalsContact O-N 3.08Å
1040	T	33.6	Very low	31.9	Very low	90 Å²	90	113.3 Å²	113.3	55%	0.552	64%	0.644	S	S	*	*				176.2	160.7	65.3	43.6	0	0	0	0	110.2
1041	P	33.9	Very low	32	Very low	98 Å²	98	115.5 Å²	115.5	64%	0.636	65%	0.652	S	S	*	*			trans	-89	163.7	162.4	37.3	-34.4	0	0	0	113.8
1042	V	31.9	Very low	32.4	Very low	127 Å²	127	117.4 Å²	117.4	77%	0.77	65%	0.65	S	S	*	*			trans	76.6	75.3	166.7	-157.5	0	0	0	0	119.3
1043	F	32.2	Very low	32.4	Very low	183 Å²	183	114.7 Å²	114.7	80%	0.803	63%	0.634	S	S	*	*				43.9	124.1	120.4	-72.1	-68.4	0	0	0	124.1
1044	S	33.3	Very low	32.3	Very low	84 Å²	84	109.8 Å²	109.8	59%	0.587	62%	0.618	S	S	*	*				90.3	75.9	130	-57.3	0	0	0	0	122.9
1045	N	28.6	Very low	32.2	Very low	124 Å²	124	113.9 Å²	113.9	66%	0.663	63%	0.63	S	S	*	*				42.6	121.7	120.7	-90.1	9.6	0	0	0	124
1046	I	32.1	Very low	32.2	Very low	133 Å²	133	111.4 Å²	111.4	68%	0.682	62%	0.623	S	S	*	*				77.2	97.3	124.1	-58.8	174.9	0	0	0	120.4
1047	N	29.2	Very low	32.3	Very low	154 Å²	154	114.8 Å²	114.8	82%	0.824	64%	0.637	S	S	*	*				67.4	157.4	129.7	-78.2	-6.2	0	0	0	123.6
1048	P	44.7	Very low	32.6	Very low	111 Å²	111	113 Å²	113	72%	0.721	64%	0.642	S	S	*	*			trans	-101.8	-174.5	-157.6	43	-38.4	0	0	0	113.9
1049	P	38.2	Very low	32.4	Very low	105 Å²	105	116.9 Å²	116.9	68%	0.682	66%	0.657	S	S	*	*				-152.6	-177.8	97.2	42.6	-26	0	0	0	116.2
1050	T	35.2	Very low	33	Very low	121 Å²	121	117.2 Å²	117.2	74%	0.742	66%	0.658	S	S	*	*			trans	66.8	148.9	160.8	57.5	0	0	0	0	118.9
1051	N	29	Very low	32.9	Very low	135 Å²	135	119.9 Å²	119.9	72%	0.722	66%	0.664	S	S	*	*			cis	-162	175.1	-28.6	-124.9	-22	0	0	0	109.9
1052	F	34.6	Very low	32.8	Very low	176 Å²	176	120 Å²	120	77%	0.772	66%	0.663	S	S	*	*			trans	67.4	115.6	165.1	-72.8	-73.1	0	0	0	121.7
1053	S	31.6	Very low	32.9	Very low	46 Å²	46	117.6 Å²	117.6	32%	0.322	65%	0.652	S	S	.	*				70.3	74	116.6	-148.2	0	0	0	0	123.1	F798	F798-S1053 VanDerWaalsContact CD1-OG 3.3Å; F798-S1053 WeakPolarHBondContact CD1-OG 3.19Å
1054	G	30.5	Very low	32.7	Very low	43 Å²	43	112.2 Å²	112.2	44%	0.443	63%	0.634	S	S	.	*				85.1	157.6	112.9	0	0	0	0	0	121.9	V799 F800	V799-G1054 VanDerWaalsContact CG2-O 3.24Å; V799-G1054 WeakPolarHBondContact CG2-O 3.22Å; F800-G1054 WeakPolarHBondContact CB-O 3.17Å; F800-G1054 PolarHBondContact N-O 3.34Å
1055	F	28.9	Very low	32.8	Very low	137 Å²	137	111.6 Å²	111.6	60%	0.601	63%	0.628	S	S	*	*			trans	21	143.7	168	-52	-103.5	0	0	0	124.3	V799	V799-F1055 HydrophobicContact CG2-CB 3.51Å; V799-F1055 HydrophobicContact CG2-CD2 3.8Å; V799-F1055 HydrophobicContact CG2-CG 4.12Å
1056	N	29.2	Very low	32.9	Very low	95 Å²	95	109.8 Å²	109.8	51%	0.508	63%	0.625	S	S	.	*			trans	71.6	159.3	136.3	-77.4	-10.7	0	0	0	119.7
1057	F	31.1	Very low	32.9	Very low	156 Å²	156	109.9 Å²	109.9	68%	0.684	63%	0.631	S	S	*	*			cis	-133.9	168.5	1.3	-102.1	-59	0	0	0	113.3
1058	S	34.2	Very low	33.1	Very low	106 Å²	106	109.9 Å²	109.9	74%	0.741	63%	0.63	S	S	*	*			trans	70	115.1	151.2	43.9	0	0	0	0	122.7
1059	L	27	Very low	32.5	Very low	150 Å²	150	109.3 Å²	109.3	79%	0.785	62%	0.624	S	S	*	*			trans	-80.5	-162.2	149.6	-54.1	70.4	0	0	0	108.9
1060	P	43	Very low	32.4	Very low	88 Å²	88	110 Å²	110	57%	0.571	63%	0.629	S	S	*	*			cis	-141.6	-156.5	-5.7	34.2	-8.4	0	0	0	115.1
1061	Q	32	Very low	32.3	Very low	145 Å²	145	111.5 Å²	111.5	68%	0.678	63%	0.627	S	S	*	*			trans	78.8	145.1	156	-74.8	176.2	-10.6	0	0	118.8
1062	T	31.7	Very low	32.6	Very low	101 Å²	101	110.2 Å²	110.2	62%	0.62	62%	0.624	S	S	*	*			cis	-141.4	-178.1	-5.7	31.9	0	0	0	0	108.7
1063	S	34.7	Very low	32.5	Very low	76 Å²	76	109 Å²	109	53%	0.531	63%	0.626	S	S	.	*			cis	-157.6	-177.4	26.6	-46.1	0	0	0	0	112.8
1064	T	27.7	Very low	32.7	Very low	71 Å²	71	110 Å²	110	44%	0.436	64%	0.637	S	S	.	*			trans	-126	-162.6	177.1	64.4	0	0	0	0	111.5	T566 V568	T566-T1064 CarbonylContact O-C 3.42Å; T566-T1064 WeakPolarHBondContact O-CA 3.5Å; T566-T1064 VanDerWaalsContact O-CB 3.29Å; T566-T1064 WeakPolarHBondContact O-CB 3.13Å; V568-T1064 HydrophobicContact CG2-CG2 4.39Å
1065	P	36.6	Very low	32.7	Very low	71 Å²	71	111 Å²	111	46%	0.461	64%	0.636	S	S	.	*			cis	-115.3	158.4	-9.9	44.2	-32.4	0	0	0	114.3	A565 T566	A565-P1065 CarbonylContact C-O 3.05Å; A565-P1065 WeakPolarHBondContact CA-O 3.44Å; A565-P1065 VanDerWaalsContact CB-O 3.32Å; A565-P1065 WeakPolarHBondContact CB-O 3.09Å; A565-P1065 PolarHBondContact N-O 2.71Å; T566-P1065 CarbonylContact O-C 3.38Å; T566-P1065 WeakPolarHBondContact O-CA 3.33Å
1066	S	30.5	Very low	32.9	Very low	85 Å²	85	110.4 Å²	110.4	59%	0.594	63%	0.634	S	S	*	*				85.5	169.7	69.6	-42.1	0	0	0	0	117.7
1067	V	31.7	Very low	33.1	Very low	135 Å²	135	110.8 Å²	110.8	82%	0.818	64%	0.639	S	S	*	*			trans	70	152.8	167.2	-109.9	0	0	0	0	117.6
1068	I	33.2	Very low	32.9	Very low	154 Å²	154	111.7 Å²	111.7	79%	0.79	64%	0.643	S	S	*	*			cis	-134.5	154.4	12.2	-58.2	177.7	0	0	0	113.9
1069	T	31.9	Very low	32.7	Very low	99 Å²	99	110.3 Å²	110.3	61%	0.607	65%	0.646	S	S	*	*			trans	-67	169.6	176.2	47.9	0	0	0	0	117.5
1070	P	35.1	Very low	32.7	Very low	119 Å²	119	111.5 Å²	111.5	77%	0.773	65%	0.647	S	S	*	*				-109.9	137.7	74.4	34.1	-35.3	0	0	0	113.5
1071	Q	33.9	Very low	32.3	Very low	154 Å²	154	113.1 Å²	113.1	72%	0.72	66%	0.656	S	S	*	*				73.8	125	60.4	-67.8	-174	-26.4	0	0	113.5
1072	T	34.8	Very low	32.6	Very low	107 Å²	107	111.8 Å²	111.8	66%	0.656	66%	0.66	S	S	*	*			cis	-159.2	139.1	2.8	11.3	0	0	0	0	113.7
1073	N	33.6	Very low	32.7	Very low	152 Å²	152	114.8 Å²	114.8	81%	0.813	67%	0.671	S	S	*	*			trans	46.9	147.6	136	-56.7	-6.2	0	0	0	123.4
1074	A	35.4	Very low	32.4	Very low	65 Å²	65	115.9 Å²	115.9	54%	0.537	68%	0.678	S	S	.	*			cis	-176.1	174.4	-15.6	0	0	0	0	0	113.3
1075	C	30.9	Very low	32.8	Very low	65 Å²	65	119.5 Å²	119.5	44%	0.439	70%	0.701	S	S	.	*			trans	98.3	116.6	145	-72.6	0	0	0	0	124.4	S602 V603 S604	S602-C1075 WeakPolarHBondContact CB-O 3.33Å; S602-C1075 PolarHBondContact OG-O 2.72Å; V603-C1075 WeakPolarHBondContact O-CA 3.31Å; V603-C1075 PolarHBondContact O-N 3.27Å; S604-C1075 WeakPolarHBondContact OG-CA 3.45Å
1076	F	32.9	Very low	32.8	Very low	124 Å²	124	119.8 Å²	119.8	54%	0.544	72%	0.717	S	S	.	*			trans	49.6	172.1	147.5	-60.6	-63.1	0	0	0	123.8	S602 S604	S602-F1076 PolarHBondContact N-O 3.37Å; S602-F1076 CarbonylContact O-C 3.54Å; S602-F1076 VanDerWaalsContact O-CA 3.23Å; S602-F1076 WeakPolarHBondContact O-CA 3.4Å; S602-F1076 PolarHBondContact O-N 3.48Å; S604-F1076 WeakPolarHBondContact O-CE1 3.37Å; S604-F1076 WeakPolarHBondContact OG-CD1 3.1Å; S604-F1076 WeakPolarHBondContact OG-CD2 3.32Å; S604-F1076 WeakPolarHBondContact OG-CE1 3.28Å; S604-F1076 WeakPolarHBondContact OG-CE2 3.17Å; S604-F1076 WeakPolarHBondContact OG-CG 3.3Å; S604-F1076 WeakPolarHBondContact OG-CZ 3.13Å; S604-F1076 PolarHBondContact OG-N 3.48Å
1077	V	33.4	Very low	32.8	Very low	103 Å²	103	122.9 Å²	122.9	62%	0.624	73%	0.732	S	S	*	*				-170.7	145.6	-65.7	135.6	0	0	0	0	113
1078	F	26.7	Very low	33.1	Very low	176 Å²	176	121 Å²	121	77%	0.772	73%	0.73	S	S	*	*			trans	6.6	141.4	163.6	-75.4	-106.9	0	0	0	123	I83	I83-F1078 HydrophobicContact CG2-CE1 4.41Å; I83-F1078 HydrophobicContact CG2-CZ 3.99Å
1079	G	29.3	Very low	33.2	Very low	77 Å²	77	121.1 Å²	121.1	79%	0.794	73%	0.732	S	S	*	*			trans	167.9	135.1	148.6	0	0	0	0	0	118
1080	Q	28.8	Very low	33.5	Very low	174 Å²	174	121.7 Å²	121.7	81%	0.813	74%	0.741	S	S	*	*			trans	-64	141.3	-176.8	-71.6	174.9	-24.1	0	0	117
1081	T	34.4	Very low	33.2	Very low	123 Å²	123	121.7 Å²	121.7	76%	0.755	73%	0.734	S	S	*	*			trans	6.6	148.8	137.7	57.7	0	0	0	0	119.9
1082	P	36.6	Very low	33.2	Very low	116 Å²	116	120.3 Å²	120.3	75%	0.753	74%	0.738	S	S	*	*			cis	-152.8	-176.4	42.1	41.2	-19.6	0	0	0	119.3
1083	L	33.7	Very low	32.9	Very low	165 Å²	165	123.3 Å²	123.3	86%	0.864	74%	0.743	S	S	*	*			trans	104.8	114.3	139.6	-142.6	78.2	0	0	0	120.7
1084	S	28.6	Very low	32.8	Very low	98 Å²	98	121.4 Å²	121.4	69%	0.685	74%	0.737	S	S	*	*			trans	55.9	111.8	142.5	-178.8	0	0	0	0	121.8
1085	T	36.8	Very low	32.9	Very low	147 Å²	147	127.7 Å²	127.7	90%	0.902	75%	0.752	S	S	*	*				-167	150.1	109.1	17.9	0	0	0	0	110.4
1086	G	35.8	Very low	33.2	Very low	77 Å²	77	127.2 Å²	127.2	79%	0.794	76%	0.758	S	S	*	*			trans	134.3	82.7	174.9	0	0	0	0	0	115
1087	V	31.3	Very low	33.3	Very low	150 Å²	150	127.7 Å²	127.7	91%	0.909	77%	0.771	S	S	*	*			trans	-97.6	110.7	173.7	177.5	0	0	0	0	109.4
1088	A	37.5	Very low	33.3	Very low	96 Å²	96	127.4 Å²	127.4	79%	0.793	77%	0.774	S	S	*	*			trans	-158	52.7	174.4	0	0	0	0	0	113.7
1089	N	35.4	Very low	33.4	Very low	156 Å²	156	123.9 Å²	123.9	83%	0.834	77%	0.772	S	S	*	*	S	Bend	trans	-151.5	152.8	149.8	-130.1	-29	0	0	0	112.1
1090	S	37.9	Very low	33.7	Very low	111 Å²	111	126.6 Å²	126.6	78%	0.776	77%	0.773	S	S	*	*			trans	-78.4	137.7	-158.6	51.6	0	0	0	0	114.8
1091	N	29.3	Very low	33.8	Very low	120 Å²	120	121.8 Å²	121.8	64%	0.642	76%	0.758	S	S	*	*			trans	-106.8	146.4	168.3	-167.6	21.9	0	0	0	108.6	F1093	N1091-F1093 WeakPolarHBondContact OD1-CD2 3.46Å
1092	P	34.3	Very low	34.1	Very low	124 Å²	124	118.5 Å²	118.5	81%	0.805	74%	0.739	S	S	*	*			trans	-129.3	75.6	153.3	36.1	-23.2	0	0	0	111.5
1093	F	27.3	Very low	34.1	Very low	170 Å²	170	115.7 Å²	115.7	75%	0.746	72%	0.722	S	S	*	*			trans	-87.2	162.9	157	-98.1	-84.9	0	0	0	110.2	N1091	N1091-F1093 WeakPolarHBondContact OD1-CD2 3.46Å
1094	T	32.5	Very low	34.1	Very low	112 Å²	112	111.9 Å²	111.9	69%	0.687	71%	0.709	S	S	*	*			trans	72.2	140.2	-178.1	73	0	0	0	0	114.2
1095	F	38.3	Very low	34.4	Very low	197 Å²	197	114.6 Å²	114.6	86%	0.864	72%	0.716	S	S	*	*			cis	-130	169.9	5	-60.8	-101.4	0	0	0	109.1
1096	G	37.4	Very low	34.3	Very low	55 Å²	55	111.8 Å²	111.8	57%	0.567	71%	0.708	S	S	*	*			cis	-174.8	142.1	-2.6	0	0	0	0	0	108
1097	T	34.7	Very low	34.4	Very low	134 Å²	134	113.6 Å²	113.6	82%	0.822	71%	0.706	S	S	*	*				47	130	97.1	60.7	0	0	0	0	116.2
1098	S	31.8	Very low	34.7	Very low	97 Å²	97	114.7 Å²	114.7	68%	0.678	71%	0.707	S	S	*	*			cis	-178.5	138.7	-10	42.8	0	0	0	0	111.8
1099	S	29.9	Very low	34.7	Very low	103 Å²	103	114 Å²	114	72%	0.72	70%	0.701	S	S	*	*			trans	65.8	160.8	152.6	74.3	0	0	0	0	121.8
1100	T	34.5	Very low	35.1	Very low	133 Å²	133	112.2 Å²	112.2	82%	0.816	70%	0.697	S	S	*	*			trans	87.6	152.8	169.7	71.7	0	0	0	0	119.3
1101	S	31.2	Very low	35.1	Very low	73 Å²	73	118.8 Å²	118.8	51%	0.51	71%	0.705	S	S	.	*			trans	-92.9	164.4	-157.9	-53.7	0	0	0	0	113.8	A650 T651	A650-S1101 CarbonylContact O-C 3.12Å; A650-S1101 VanDerWaalsContact O-C 3.24Å; A650-S1101 VanDerWaalsContact O-O 3.07Å; T651-S1101 WeakPolarHBondContact CB-O 3.27Å; T651-S1101 VanDerWaalsContact CG2-O 3.3Å; T651-S1101 WeakPolarHBondContact CG2-O 3.39Å; T651-S1101 PolarHBondContact OG1-O 2.97Å
1102	P	42.1	Very low	35.7	Very low	54 Å²	54	124.6 Å²	124.6	35%	0.351	72%	0.718	S	S	.	*			trans	-111.8	152.2	-151.2	40.3	-36.5	0	0	0	116.6	V648 T649 A650 T651	V648-P1102 HydrophobicContact CB-CG 3.99Å; V648-P1102 HydrophobicContact CG1-CG 4.3Å; V648-P1102 HydrophobicContact CG2-CB 4.46Å; V648-P1102 HydrophobicContact CG2-CG 3.52Å; T649-P1102 CarbonylContact C-O 3.46Å; T649-P1102 WeakPolarHBondContact CA-O 3.26Å; T649-P1102 WeakPolarHBondContact CG2-O 3.44Å; A650-P1102 CarbonylContact C-O 3.49Å; A650-P1102 WeakPolarHBondContact CA-O 3.26Å; A650-P1102 PolarHBondContact N-O 2.81Å; T651-P1102 VanDerWaalsContact OG1-CA 3.26Å; T651-P1102 WeakPolarHBondContact OG1-CA 3.35Å
1103	S	35.1	Very low	35.9	Very low	58 Å²	58	130 Å²	130	41%	0.406	72%	0.723	S	S	.	*			trans	-163.2	157	164.7	63.7	0	0	0	0	106.9	T651	T651-S1103 WeakPolarHBondContact CB-OG 3.39Å; T651-S1103 PolarHBondContact OG1-N 3.12Å; T651-S1103 PolarHBondContact OG1-OG 2.95Å
1104	S	35.1	Very low	36.7	Very low	84 Å²	84	126.8 Å²	126.8	59%	0.587	72%	0.718	S	S	*	*			cis	-172.8	161.6	-26.3	52.2	0	0	0	0	105.9
1105	N	34.4	Very low	37.2	Very low	156 Å²	156	129.4 Å²	129.4	83%	0.834	73%	0.727	S	S	*	*			trans	67.8	147.1	162.5	-58.1	-18.2	0	0	0	116.8
1106	A	34	Very low	37	Very low	88 Å²	88	124.3 Å²	124.3	73%	0.727	72%	0.717	S	S	*	*			cis	-150.8	-156.5	-21.2	0	0	0	0	0	108.7
1107	P	38.8	Very low	36.8	Very low	114 Å²	114	126.8 Å²	126.8	74%	0.74	73%	0.725	S	S	*	*				-130.2	166.7	-117.7	36.1	-15.2	0	0	0	116.3
1108	N	36.8	Very low	37.1	Very low	174 Å²	174	131.8 Å²	131.8	93%	0.93	73%	0.729	S	S	*	*			trans	-145.5	154	138.7	-122.8	-32.9	0	0	0	110.9
1109	A	37.2	Very low	37.6	Very low	81 Å²	81	138.4 Å²	138.4	67%	0.669	74%	0.739	S	S	*	*			trans	-146.5	-152.9	-149.9	0	0	0	0	0	113.5
1110	P	44.1	Very low	38	Very low	118 Å²	118	137.9 Å²	137.9	77%	0.766	74%	0.735	S	S	*	*				-134.2	166.9	-84.7	39.2	-24.3	0	0	0	116
1111	R	38.3	Very low	38.2	Very low	249 Å²	249	142.6 Å²	142.6	94%	0.94	74%	0.738	S	S	*	*	S	Bend	trans	-170.8	133.6	146.8	-105.3	166.8	-178.9	-164.9	0.6	108.5
1112	R	42.2	Very low	38.5	Very low	242 Å²	242	150 Å²	150	91%	0.913	76%	0.755	S	S	*	*			cis	-127.5	170.5	-0.8	-61.6	171.9	90.8	177	5.9	110.5
1113	R	37.1	Very low	38.9	Very low	239 Å²	239	156.3 Å²	156.3	90%	0.902	80%	0.796	S	S	*	*			trans	-155.2	178.1	-174.1	-122.7	-166.2	-179.5	-177.2	2.1	107
1114	P	46	Very low	39.1	Very low	101 Å²	101	161.2 Å²	161.2	66%	0.656	82%	0.815	S	S	*	*				-124.2	-162	-64.8	35.9	-16.9	0	0	0	110.3
1115	L	42.5	Very low	39.3	Very low	167 Å²	167	165.3 Å²	165.3	87%	0.874	83%	0.827	S	S	*	*				-166	167.5	115.5	-104.8	172.1	0	0	0	111.4
1116	S	34.1	Very low	39.5	Very low	91 Å²	91	165.8 Å²	165.8	64%	0.636	83%	0.827	S	S	*	*			trans	-134.7	142.5	-160.2	56.9	0	0	0	0	115
1117	S	33.8	Very low	39.9	Very low	107 Å²	107	170.4 Å²	170.4	75%	0.748	83%	0.833	S	S	*	*			trans	47.4	105.9	143.7	65.5	0	0	0	0	120.1
1118	R	40.7	Very low	39.9	Very low	239 Å²	239	173.9 Å²	173.9	90%	0.902	84%	0.838	S	S	*	*				-150.7	122.6	129.2	-96.9	177.6	-178.7	-156.1	-0.1	106.4
1119	R	41.1	Very low	40.1	Very low	235 Å²	235	173.9 Å²	173.9	89%	0.887	83%	0.832	S	S	*	*				77.4	123.8	61.5	-170.6	-169.9	-164.7	-125.8	9	112
1120	S	38.1	Very low	40.3	Very low	92 Å²	92	180.5 Å²	180.5	64%	0.643	84%	0.844	S	S	*	*			trans	109.4	103.1	158.9	-167.6	0	0	0	0	117.7
1121	R	39.4	Very low	40.1	Very low	232 Å²	232	185.3 Å²	185.3	88%	0.875	85%	0.85	S	S	*	*			trans	66	116.4	138.9	-66	176.3	170.7	166.3	-4.2	119.9
1122	R	37.8	Very low	40.2	Very low	230 Å²	230	180 Å²	180	87%	0.868	84%	0.842	S	S	*	*			trans	-48.7	149.8	146.5	-112.5	-163.4	-170.5	174.3	2.6	112.7
1123	P	49.7	Very low	40	Very low	185 Å²	185	174.4 Å²	174.4	100%	1.201	84%	0.836	S	S	*	*				-64.9	0	118.5	-8.8	27.7	0	0	0	110.7

Retrieved 1,123 of 1,123 residues in 217.4 ms (Link to these results)

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